NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
478927 |
2kq5   |
16589 | cing | 1-original | 12 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLU 1 1HT GLU 1 -15.762 -3.899 2.948
2 H2 GLU 1 2HT GLU 1 -15.356 -5.507 3.280
3 H3 GLU 1 3HT GLU 1 -14.566 -4.678 2.039
4 HA GLU 1 HA GLU 1 -13.599 -3.155 3.641
5 HB2 GLU 1 2HB GLU 1 -14.912 -5.008 5.640
6 HB3 GLU 1 1HB GLU 1 -13.714 -3.787 6.043
7 HG2 GLU 1 2HG GLU 1 -15.225 -2.042 5.253
8 HG3 GLU 1 1HG GLU 1 -16.430 -3.267 4.860
9 H GLN 2 H GLN 2 -11.500 -3.627 4.419
10 HA GLN 2 HA GLN 2 -10.680 -6.381 4.656
11 HB2 GLN 2 2HB GLN 2 -10.666 -5.751 2.152
12 HB3 GLN 2 1HB GLN 2 -9.292 -4.732 2.549
13 HG2 GLN 2 2HG GLN 2 -8.039 -6.641 3.313
14 HG3 GLN 2 1HG GLN 2 -9.431 -7.691 3.062
15 HE21 GLN 2 1HE2 GLN 2 -10.221 -6.457 0.571
16 HE22 GLN 2 2HE2 GLN 2 -9.064 -6.956 -0.612
17 H VAL 3 H VAL 3 -8.430 -6.556 5.386
18 HA VAL 3 HA VAL 3 -7.815 -4.774 7.421
19 HB VAL 3 HB VAL 3 -5.496 -5.801 7.349
20 HG11 VAL 3 1HG1 VAL 3 -6.314 -8.003 8.101
21 HG12 VAL 3 2HG1 VAL 3 -7.910 -7.592 7.474
22 HG13 VAL 3 3HG1 VAL 3 -7.217 -6.660 8.799
23 HG21 VAL 3 3HG2 VAL 3 -6.761 -7.468 5.174
24 HG22 VAL 3 1HG2 VAL 3 -5.204 -7.781 5.942
25 HG23 VAL 3 2HG2 VAL 3 -5.429 -6.330 4.962
26 H VAL 4 H VAL 4 -6.849 -4.697 4.062
27 HA VAL 4 HA VAL 4 -4.780 -2.757 4.392
28 HB VAL 4 HB VAL 4 -4.844 -2.530 1.944
29 HG11 VAL 4 1HG1 VAL 4 -3.549 -4.337 2.916
30 HG12 VAL 4 2HG1 VAL 4 -4.261 -4.854 1.389
31 HG13 VAL 4 3HG1 VAL 4 -4.967 -5.383 2.916
32 HG21 VAL 4 3HG2 VAL 4 -7.313 -2.762 1.709
33 HG22 VAL 4 1HG2 VAL 4 -7.136 -4.491 2.006
34 HG23 VAL 4 2HG2 VAL 4 -6.398 -3.762 0.581
35 H ALA 5 H ALA 5 -8.147 -2.562 4.450
36 HA ALA 5 HA ALA 5 -8.158 0.256 3.625
37 HB1 ALA 5 3HB ALA 5 -10.477 -1.625 4.051
38 HB2 ALA 5 1HB ALA 5 -9.777 -1.187 2.494
39 HB3 ALA 5 2HB ALA 5 -10.585 0.037 3.473
40 H ILE 6 H ILE 6 -8.831 -1.904 6.316
41 HA ILE 6 HA ILE 6 -10.010 0.075 7.985
42 HB ILE 6 HB ILE 6 -8.657 -2.503 8.799
43 HG12 ILE 6 2HG1 ILE 6 -11.592 -1.921 8.335
44 HG13 ILE 6 1HG1 ILE 6 -10.553 -2.785 7.209
45 HG21 ILE 6 1HG2 ILE 6 -8.858 -0.969 10.669
46 HG22 ILE 6 2HG2 ILE 6 -9.998 -2.301 10.852
47 HG23 ILE 6 3HG2 ILE 6 -10.568 -0.723 10.310
48 HD11 ILE 6 3HD1 ILE 6 -11.882 -4.342 8.468
49 HD12 ILE 6 1HD1 ILE 6 -11.295 -3.662 9.986
50 HD13 ILE 6 2HD1 ILE 6 -10.185 -4.514 8.914
51 H ALA 7 H ALA 7 -6.732 -1.272 7.758
52 HA ALA 7 HA ALA 7 -5.589 0.212 9.844
53 HB1 ALA 7 3HB ALA 7 -3.451 -0.371 8.886
54 HB2 ALA 7 1HB ALA 7 -4.214 -0.773 7.347
55 HB3 ALA 7 2HB ALA 7 -4.538 -1.754 8.775
56 H SER 8 H SER 8 -6.010 0.934 6.420
57 HA SER 8 HA SER 8 -4.514 3.350 6.459
58 HB2 SER 8 2HB SER 8 -5.908 3.709 4.273
59 HB3 SER 8 1HB SER 8 -4.681 2.442 4.338
60 HG SER 8 HG SER 8 -6.209 1.083 3.927
61 H ASN 9 H ASN 9 -7.752 2.510 7.310
62 HA ASN 9 HA ASN 9 -8.872 5.135 7.078
63 HB2 ASN 9 2HB ASN 9 -10.203 2.988 7.112
64 HB3 ASN 9 1HB ASN 9 -9.836 2.861 8.830
65 HD21 ASN 9 1HD2 ASN 9 -11.939 3.020 9.491
66 HD22 ASN 9 2HD2 ASN 9 -12.861 4.476 9.355
67 H ILE 10 H ILE 10 -7.127 3.331 9.471
68 HA ILE 10 HA ILE 10 -7.626 5.222 11.599
69 HB ILE 10 HB ILE 10 -5.667 2.922 11.472
70 HG12 ILE 10 2HG1 ILE 10 -7.952 2.114 11.234
71 HG13 ILE 10 1HG1 ILE 10 -7.341 1.703 12.832
72 HG21 ILE 10 1HG2 ILE 10 -6.683 4.469 13.849
73 HG22 ILE 10 2HG2 ILE 10 -5.068 4.594 13.150
74 HG23 ILE 10 3HG2 ILE 10 -5.591 3.085 13.897
75 HD11 ILE 10 3HD1 ILE 10 -9.624 2.444 12.986
76 HD12 ILE 10 1HD1 ILE 10 -9.225 3.949 12.157
77 HD13 ILE 10 2HD1 ILE 10 -8.563 3.624 13.758
78 H GLY 11 H GLY 11 -4.872 4.253 9.561
79 HA2 GLY 11 2HA GLY 11 -3.088 6.191 10.656
80 HA3 GLY 11 1HA GLY 11 -2.839 5.264 9.186
81 H GLY 12 H GLY 12 -5.137 6.135 7.765
82 HA2 GLY 12 2HA GLY 12 -6.110 8.084 6.843
83 HA3 GLY 12 1HA GLY 12 -4.866 9.048 7.623
84 H LYS 13 H LYS 13 -3.328 6.463 6.270
85 HA LYS 13 HA LYS 13 -2.926 7.852 3.697
86 HB2 LYS 13 2HB LYS 13 -0.758 6.373 5.182
87 HB3 LYS 13 1HB LYS 13 -0.578 7.447 3.802
88 HG2 LYS 13 2HG LYS 13 -1.037 9.365 5.131
89 HG3 LYS 13 1HG LYS 13 -1.544 8.372 6.498
90 HD2 LYS 13 2HD LYS 13 1.244 8.510 5.348
91 HD3 LYS 13 1HD LYS 13 0.702 9.298 6.827
92 HE2 LYS 13 2HE LYS 13 0.989 6.354 6.288
93 HE3 LYS 13 1HE LYS 13 1.828 7.324 7.493
94 HZ1 LYS 13 3HZ LYS 13 0.241 6.273 8.744
95 HZ2 LYS 13 1HZ LYS 13 -0.929 6.297 7.519
96 HZ3 LYS 13 2HZ LYS 13 -0.566 7.712 8.381
97 H GLN 14 H GLN 14 -4.325 6.448 2.636
98 HA GLN 14 HA GLN 14 -4.484 3.702 2.905
99 HB2 GLN 14 2HB GLN 14 -6.078 5.141 1.646
100 HB3 GLN 14 1HB GLN 14 -4.901 5.227 0.342
101 HG2 GLN 14 2HG GLN 14 -5.047 2.855 -0.017
102 HG3 GLN 14 1HG GLN 14 -6.104 2.673 1.380
103 HE21 GLN 14 1HE2 GLN 14 -6.549 1.954 -1.400
104 HE22 GLN 14 2HE2 GLN 14 -7.975 2.797 -1.890
105 H ALA 15 H ALA 15 -2.443 5.534 0.646
106 HA ALA 15 HA ALA 15 -1.388 3.269 -0.668
107 HB1 ALA 15 3HB ALA 15 -0.170 6.011 -0.425
108 HB2 ALA 15 1HB ALA 15 -1.363 5.521 -1.627
109 HB3 ALA 15 2HB ALA 15 0.237 4.784 -1.623
110 H LEU 16 H LEU 16 -0.424 4.893 2.281
111 HA LEU 16 HA LEU 16 2.123 3.499 2.326
112 HB2 LEU 16 2HB LEU 16 1.347 5.919 3.293
113 HB3 LEU 16 1HB LEU 16 1.277 4.937 4.742
114 HG LEU 16 HG LEU 16 3.737 4.714 3.100
115 HD11 LEU 16 1HD1 LEU 16 3.105 7.132 4.787
116 HD12 LEU 16 2HD1 LEU 16 3.357 7.106 3.041
117 HD13 LEU 16 3HD1 LEU 16 4.693 6.728 4.132
118 HD21 LEU 16 3HD2 LEU 16 4.777 4.496 5.266
119 HD22 LEU 16 1HD2 LEU 16 3.368 3.438 5.192
120 HD23 LEU 16 2HD2 LEU 16 3.281 4.965 6.071
121 H GLU 17 H GLU 17 -0.963 3.422 4.043
122 HA GLU 17 HA GLU 17 -0.116 1.454 5.912
123 HB2 GLU 17 2HB GLU 17 -2.693 2.715 5.163
124 HB3 GLU 17 1HB GLU 17 -2.781 1.151 5.962
125 HG2 GLU 17 2HG GLU 17 -2.952 2.803 7.644
126 HG3 GLU 17 1HG GLU 17 -1.342 2.100 7.778
127 H THR 18 H THR 18 -1.580 1.316 2.716
128 HA THR 18 HA THR 18 -2.246 -1.440 2.856
129 HB THR 18 HB THR 18 -3.198 0.278 1.220
130 HG1 THR 18 HG1 THR 18 -2.416 -2.361 0.600
131 HG21 THR 18 3HG2 THR 18 -1.069 1.117 0.327
132 HG22 THR 18 1HG2 THR 18 -2.087 0.453 -0.953
133 HG23 THR 18 2HG2 THR 18 -0.721 -0.481 -0.339
134 H VAL 19 H VAL 19 0.673 0.292 1.893
135 HA VAL 19 HA VAL 19 1.879 -1.980 0.661
136 HB VAL 19 HB VAL 19 2.527 0.410 0.189
137 HG11 VAL 19 1HG1 VAL 19 4.166 1.491 1.596
138 HG12 VAL 19 2HG1 VAL 19 4.109 0.148 2.739
139 HG13 VAL 19 3HG1 VAL 19 2.695 1.178 2.515
140 HG21 VAL 19 3HG2 VAL 19 3.860 -1.411 -0.642
141 HG22 VAL 19 1HG2 VAL 19 4.699 -1.551 0.903
142 HG23 VAL 19 2HG2 VAL 19 4.923 -0.114 -0.096
143 H GLN 20 H GLN 20 1.749 -0.745 3.924
144 HA GLN 20 HA GLN 20 3.855 -2.466 4.871
145 HB2 GLN 20 2HB GLN 20 1.816 -0.780 6.335
146 HB3 GLN 20 1HB GLN 20 3.077 -1.711 7.135
147 HG2 GLN 20 2HG GLN 20 3.621 0.430 5.094
148 HG3 GLN 20 1HG GLN 20 3.566 0.724 6.830
149 HE21 GLN 20 1HE2 GLN 20 5.711 1.383 6.850
150 HE22 GLN 20 2HE2 GLN 20 7.025 0.268 6.696
151 H ARG 21 H ARG 21 0.454 -2.662 4.399
152 HA ARG 21 HA ARG 21 0.130 -4.940 6.159
153 HB2 ARG 21 2HB ARG 21 -1.645 -3.188 5.838
154 HB3 ARG 21 1HB ARG 21 -1.861 -3.792 4.202
155 HG2 ARG 21 2HG ARG 21 -3.566 -4.772 5.503
156 HG3 ARG 21 1HG ARG 21 -2.373 -6.040 5.221
157 HD2 ARG 21 2HD ARG 21 -2.277 -4.355 7.699
158 HD3 ARG 21 1HD ARG 21 -3.351 -5.748 7.594
159 HE ARG 21 HE ARG 21 -0.446 -5.774 7.748
160 HH11 ARG 21 1HH1 ARG 21 -3.395 -7.596 7.232
161 HH12 ARG 21 2HH1 ARG 21 -2.649 -9.134 7.514
162 HH21 ARG 21 1HH2 ARG 21 0.537 -7.797 8.145
163 HH22 ARG 21 2HH2 ARG 21 -0.412 -9.249 8.054
164 H LEU 22 H LEU 22 0.219 -4.284 2.682
165 HA LEU 22 HA LEU 22 -0.186 -7.082 2.049
166 HB2 LEU 22 2HB LEU 22 0.319 -4.637 0.370
167 HB3 LEU 22 1HB LEU 22 0.265 -6.247 -0.319
168 HG LEU 22 HG LEU 22 -2.014 -5.008 1.218
169 HD11 LEU 22 1HD1 LEU 22 -1.588 -3.715 -0.797
170 HD12 LEU 22 2HD1 LEU 22 -3.067 -4.658 -0.963
171 HD13 LEU 22 3HD1 LEU 22 -1.589 -5.192 -1.762
172 HD21 LEU 22 3HD2 LEU 22 -1.815 -7.463 -0.522
173 HD22 LEU 22 1HD2 LEU 22 -3.311 -6.808 0.140
174 HD23 LEU 22 2HD2 LEU 22 -2.065 -7.423 1.223
175 H LEU 23 H LEU 23 2.397 -5.349 3.103
176 HA LEU 23 HA LEU 23 4.521 -6.043 1.461
177 HB2 LEU 23 2HB LEU 23 4.601 -4.451 3.382
178 HB3 LEU 23 1HB LEU 23 4.630 -5.822 4.468
179 HG LEU 23 HG LEU 23 6.742 -6.523 3.097
180 HD11 LEU 23 1HD1 LEU 23 7.987 -4.716 2.153
181 HD12 LEU 23 2HD1 LEU 23 6.778 -3.542 2.673
182 HD13 LEU 23 3HD1 LEU 23 6.385 -4.708 1.411
183 HD21 LEU 23 3HD2 LEU 23 6.783 -4.218 5.040
184 HD22 LEU 23 1HD2 LEU 23 8.141 -5.271 4.650
185 HD23 LEU 23 2HD2 LEU 23 6.723 -5.927 5.467
186 HA PRO 24 HA PRO 24 5.287 -10.088 4.009
187 HB2 PRO 24 2HB PRO 24 3.198 -11.033 5.499
188 HB3 PRO 24 1HB PRO 24 4.493 -10.031 6.162
189 HG2 PRO 24 2HG PRO 24 1.752 -9.231 5.263
190 HG3 PRO 24 1HG PRO 24 2.643 -8.729 6.713
191 HD2 PRO 24 2HD PRO 24 2.486 -7.149 4.553
192 HD3 PRO 24 1HD PRO 24 3.959 -7.232 5.541
193 H VAL 25 H VAL 25 2.040 -9.379 2.876
194 HA VAL 25 HA VAL 25 1.296 -11.970 2.071
195 HB VAL 25 HB VAL 25 0.392 -9.329 0.906
196 HG11 VAL 25 1HG1 VAL 25 -1.635 -10.572 0.265
197 HG12 VAL 25 2HG1 VAL 25 -0.885 -12.063 0.841
198 HG13 VAL 25 3HG1 VAL 25 -0.189 -11.197 -0.531
199 HG21 VAL 25 3HG2 VAL 25 0.059 -9.409 3.321
200 HG22 VAL 25 1HG2 VAL 25 -0.765 -10.960 3.166
201 HG23 VAL 25 2HG2 VAL 25 -1.486 -9.507 2.474
202 H LEU 26 H LEU 26 2.459 -9.243 0.075
203 HA LEU 26 HA LEU 26 2.757 -10.867 -2.244
204 HB2 LEU 26 2HB LEU 26 3.370 -8.063 -1.519
205 HB3 LEU 26 1HB LEU 26 4.287 -8.746 -2.845
206 HG LEU 26 HG LEU 26 2.360 -7.536 -3.689
207 HD11 LEU 26 1HD1 LEU 26 1.893 -10.493 -4.004
208 HD12 LEU 26 2HD1 LEU 26 3.149 -9.587 -4.848
209 HD13 LEU 26 3HD1 LEU 26 1.449 -9.209 -5.127
210 HD21 LEU 26 3HD2 LEU 26 0.900 -7.738 -1.751
211 HD22 LEU 26 1HD2 LEU 26 0.707 -9.461 -2.060
212 HD23 LEU 26 2HD2 LEU 26 0.083 -8.284 -3.213
213 H CYS 27 H CYS 27 4.797 -10.171 0.453
214 HA CYS 27 HA CYS 27 7.253 -10.875 -0.839
215 HB2 CYS 27 2HB CYS 27 7.143 -9.403 1.166
216 HB3 CYS 27 1HB CYS 27 6.637 -10.790 2.122
217 HG CYS 27 HG CYS 27 9.183 -12.084 1.057
218 H GLN 28 H GLN 28 4.790 -12.587 0.981
219 HA GLN 28 HA GLN 28 6.379 -14.993 1.138
220 HB2 GLN 28 2HB GLN 28 4.688 -14.305 2.877
221 HB3 GLN 28 1HB GLN 28 3.430 -14.688 1.711
222 HG2 GLN 28 2HG GLN 28 3.812 -16.493 3.329
223 HG3 GLN 28 1HG GLN 28 4.109 -16.997 1.665
224 HE21 GLN 28 1HE2 GLN 28 6.199 -17.458 1.008
225 HE22 GLN 28 2HE2 GLN 28 7.494 -17.689 2.133
226 H ALA 29 H ALA 29 3.633 -13.807 -0.737
227 HA ALA 29 HA ALA 29 3.193 -16.238 -2.140
228 HB1 ALA 29 3HB ALA 29 1.749 -14.914 -3.595
229 HB2 ALA 29 1HB ALA 29 2.389 -13.429 -2.887
230 HB3 ALA 29 2HB ALA 29 1.449 -14.545 -1.894
231 H HIS 30 H HIS 30 5.170 -13.389 -2.784
232 HA HIS 30 HA HIS 30 6.309 -14.825 -5.087
233 HB2 HIS 30 2HB HIS 30 5.379 -11.980 -4.941
234 HB3 HIS 30 1HB HIS 30 6.720 -12.403 -6.000
235 HD1 HIS 30 HD1 HIS 30 6.158 -14.174 -7.920
236 HD2 HIS 30 HD2 HIS 30 2.889 -12.572 -5.918
237 HE1 HIS 30 HE1 HIS 30 4.167 -14.665 -9.374
238 HE2 HIS 30 HE2 HIS 30 2.187 -13.884 -8.027
239 H GLY 31 H GLY 31 6.915 -11.940 -3.068
240 HA2 GLY 31 2HA GLY 31 8.867 -12.114 -1.543
241 HA3 GLY 31 1HA GLY 31 9.722 -12.850 -2.889
242 H LEU 32 H LEU 32 8.818 -11.137 -4.925
243 HA LEU 32 HA LEU 32 10.697 -9.069 -4.795
244 HB2 LEU 32 2HB LEU 32 9.919 -9.925 -6.912
245 HB3 LEU 32 1HB LEU 32 8.275 -9.428 -6.562
246 HG LEU 32 HG LEU 32 9.176 -7.032 -6.534
247 HD11 LEU 32 1HD1 LEU 32 11.536 -7.541 -6.355
248 HD12 LEU 32 2HD1 LEU 32 11.218 -6.674 -7.858
249 HD13 LEU 32 3HD1 LEU 32 11.488 -8.415 -7.885
250 HD21 LEU 32 3HD2 LEU 32 9.249 -8.580 -9.122
251 HD22 LEU 32 1HD2 LEU 32 9.023 -6.839 -8.958
252 HD23 LEU 32 2HD2 LEU 32 7.799 -7.950 -8.341
253 H THR 33 H THR 33 7.252 -9.122 -4.109
254 HA THR 33 HA THR 33 5.840 -7.658 -3.114
255 HB THR 33 HB THR 33 8.233 -6.228 -1.978
256 HG1 THR 33 HG1 THR 33 8.715 -8.305 -1.483
257 HG21 THR 33 3HG2 THR 33 6.697 -6.090 0.007
258 HG22 THR 33 1HG2 THR 33 5.424 -6.769 -1.010
259 HG23 THR 33 2HG2 THR 33 6.139 -5.209 -1.414
260 HA PRO 34 HA PRO 34 6.661 -4.607 -6.534
261 HB2 PRO 34 2HB PRO 34 3.830 -5.156 -7.115
262 HB3 PRO 34 1HB PRO 34 5.229 -5.218 -8.193
263 HG2 PRO 34 2HG PRO 34 3.980 -7.449 -7.370
264 HG3 PRO 34 1HG PRO 34 5.733 -7.396 -7.629
265 HD2 PRO 34 2HD PRO 34 4.189 -7.273 -5.064
266 HD3 PRO 34 1HD PRO 34 5.693 -8.143 -5.435
267 H GLU 35 H GLU 35 4.352 -4.927 -3.994
268 HA GLU 35 HA GLU 35 2.867 -2.595 -4.263
269 HB2 GLU 35 2HB GLU 35 3.743 -3.834 -1.655
270 HB3 GLU 35 1HB GLU 35 2.342 -2.805 -1.916
271 HG2 GLU 35 2HG GLU 35 2.778 -5.633 -2.807
272 HG3 GLU 35 1HG GLU 35 1.496 -4.986 -1.786
273 H GLN 36 H GLN 36 6.048 -3.071 -2.769
274 HA GLN 36 HA GLN 36 6.168 -0.358 -1.838
275 HB2 GLN 36 2HB GLN 36 8.437 -0.849 -1.161
276 HB3 GLN 36 1HB GLN 36 7.383 -2.174 -0.689
277 HG2 GLN 36 2HG GLN 36 8.625 -3.622 -1.805
278 HG3 GLN 36 1HG GLN 36 8.484 -2.677 -3.289
279 HE21 GLN 36 1HE2 GLN 36 10.379 -3.255 -0.425
280 HE22 GLN 36 2HE2 GLN 36 11.811 -2.457 -0.973
281 H VAL 37 H VAL 37 6.202 -1.556 -4.837
282 HA VAL 37 HA VAL 37 8.127 0.436 -5.826
283 HB VAL 37 HB VAL 37 7.041 -1.841 -7.466
284 HG11 VAL 37 1HG1 VAL 37 9.519 -0.137 -7.694
285 HG12 VAL 37 2HG1 VAL 37 8.076 -0.034 -8.702
286 HG13 VAL 37 3HG1 VAL 37 9.098 -1.470 -8.767
287 HG21 VAL 37 3HG2 VAL 37 8.073 -2.887 -5.550
288 HG22 VAL 37 1HG2 VAL 37 9.506 -1.872 -5.728
289 HG23 VAL 37 2HG2 VAL 37 9.122 -3.078 -6.956
290 H VAL 38 H VAL 38 5.010 -1.106 -6.667
291 HA VAL 38 HA VAL 38 4.349 1.048 -8.453
292 HB VAL 38 HB VAL 38 3.631 -1.166 -9.067
293 HG11 VAL 38 1HG1 VAL 38 3.357 -2.089 -6.794
294 HG12 VAL 38 2HG1 VAL 38 1.990 -2.443 -7.852
295 HG13 VAL 38 3HG1 VAL 38 1.858 -1.176 -6.631
296 HG21 VAL 38 3HG2 VAL 38 1.203 -0.744 -9.437
297 HG22 VAL 38 1HG2 VAL 38 2.251 0.599 -9.895
298 HG23 VAL 38 2HG2 VAL 38 1.340 0.665 -8.387
299 H ALA 39 H ALA 39 2.910 -0.106 -5.376
300 HA ALA 39 HA ALA 39 0.967 1.920 -5.210
301 HB1 ALA 39 3HB ALA 39 0.872 -0.146 -3.890
302 HB2 ALA 39 1HB ALA 39 0.727 1.291 -2.876
303 HB3 ALA 39 2HB ALA 39 2.252 0.408 -2.942
304 H ILE 40 H ILE 40 4.231 1.716 -3.855
305 HA ILE 40 HA ILE 40 4.189 4.148 -2.458
306 HB ILE 40 HB ILE 40 6.480 2.612 -3.671
307 HG12 ILE 40 2HG1 ILE 40 5.283 1.526 -1.815
308 HG13 ILE 40 1HG1 ILE 40 6.928 1.956 -1.361
309 HG21 ILE 40 1HG2 ILE 40 7.133 4.950 -3.542
310 HG22 ILE 40 2HG2 ILE 40 7.995 3.996 -2.334
311 HG23 ILE 40 3HG2 ILE 40 6.634 5.010 -1.851
312 HD11 ILE 40 3HD1 ILE 40 4.364 3.272 -0.530
313 HD12 ILE 40 1HD1 ILE 40 5.939 4.037 -0.314
314 HD13 ILE 40 2HD1 ILE 40 5.588 2.502 0.479
315 H ALA 41 H ALA 41 5.210 3.383 -5.771
316 HA ALA 41 HA ALA 41 6.035 5.985 -6.471
317 HB1 ALA 41 3HB ALA 41 6.705 4.029 -7.749
318 HB2 ALA 41 1HB ALA 41 5.899 5.206 -8.787
319 HB3 ALA 41 2HB ALA 41 5.035 3.767 -8.248
320 H SER 42 H SER 42 2.886 4.440 -6.460
321 HA SER 42 HA SER 42 1.562 6.312 -8.103
322 HB2 SER 42 2HB SER 42 0.376 4.666 -5.862
323 HB3 SER 42 1HB SER 42 -0.502 5.401 -7.203
324 HG SER 42 HG SER 42 1.611 3.647 -7.776
325 H HIS 43 H HIS 43 2.455 6.345 -4.727
326 HA HIS 43 HA HIS 43 0.856 8.741 -4.258
327 HB2 HIS 43 2HB HIS 43 0.793 7.088 -2.483
328 HB3 HIS 43 1HB HIS 43 2.551 7.085 -2.377
329 HD1 HIS 43 HD1 HIS 43 -0.461 9.166 -1.451
330 HD2 HIS 43 HD2 HIS 43 3.667 9.177 -0.900
331 HE1 HIS 43 HE1 HIS 43 -0.006 10.924 0.279
332 HE2 HIS 43 HE2 HIS 43 2.496 11.078 0.400
333 H ASP 44 H ASP 44 4.268 7.719 -4.165
334 HA ASP 44 HA ASP 44 5.248 10.310 -3.534
335 HB2 ASP 44 2HB ASP 44 6.558 8.262 -3.124
336 HB3 ASP 44 1HB ASP 44 6.703 8.016 -4.862
337 H GLY 45 H GLY 45 5.342 8.490 -6.608
338 HA2 GLY 45 2HA GLY 45 5.891 11.006 -8.007
339 HA3 GLY 45 1HA GLY 45 6.054 9.389 -8.682
340 H GLY 46 H GLY 46 3.337 10.907 -6.983
341 HA2 GLY 46 2HA GLY 46 1.786 11.332 -9.318
342 HA3 GLY 46 1HA GLY 46 1.343 9.806 -8.566
343 H LYS 47 H LYS 47 0.416 9.811 -6.487
344 HA LYS 47 HA LYS 47 -1.130 12.208 -5.979
345 HB2 LYS 47 2HB LYS 47 -2.034 9.833 -5.944
346 HB3 LYS 47 1HB LYS 47 -1.191 9.631 -4.414
347 HG2 LYS 47 2HG LYS 47 -3.060 10.368 -3.461
348 HG3 LYS 47 1HG LYS 47 -2.603 11.965 -4.055
349 HD2 LYS 47 2HD LYS 47 -3.908 11.631 -6.060
350 HD3 LYS 47 1HD LYS 47 -4.295 9.981 -5.566
351 HE2 LYS 47 2HE LYS 47 -5.013 12.425 -3.966
352 HE3 LYS 47 1HE LYS 47 -6.094 11.679 -5.139
353 HZ1 LYS 47 3HZ LYS 47 -6.659 10.850 -3.010
354 HZ2 LYS 47 1HZ LYS 47 -5.051 10.484 -2.625
355 HZ3 LYS 47 2HZ LYS 47 -5.867 9.590 -3.812
356 H GLN 48 H GLN 48 1.172 13.173 -5.443
357 HA GLN 48 HA GLN 48 1.627 12.857 -2.547
358 HB2 GLN 48 2HB GLN 48 3.601 12.419 -4.003
359 HB3 GLN 48 1HB GLN 48 3.482 14.064 -4.613
360 HG2 GLN 48 2HG GLN 48 5.100 14.294 -3.018
361 HG3 GLN 48 1HG GLN 48 3.658 14.721 -2.104
362 HE21 GLN 48 1HE2 GLN 48 6.194 12.424 -2.562
363 HE22 GLN 48 2HE2 GLN 48 5.886 11.488 -1.142
364 H ALA 49 H ALA 49 1.697 15.326 -5.114
365 HA ALA 49 HA ALA 49 1.386 17.510 -3.311
366 HB1 ALA 49 3HB ALA 49 1.059 18.850 -5.335
367 HB2 ALA 49 1HB ALA 49 0.931 17.376 -6.291
368 HB3 ALA 49 2HB ALA 49 2.448 17.777 -5.492
369 H LEU 50 H LEU 50 -0.737 15.198 -4.474
370 HA LEU 50 HA LEU 50 -3.079 16.913 -3.990
371 HB2 LEU 50 2HB LEU 50 -2.776 14.379 -5.610
372 HB3 LEU 50 1HB LEU 50 -4.335 15.058 -5.191
373 HG LEU 50 HG LEU 50 -4.021 15.829 -7.348
374 HD11 LEU 50 1HD1 LEU 50 -2.746 18.033 -5.749
375 HD12 LEU 50 2HD1 LEU 50 -4.473 17.676 -5.751
376 HD13 LEU 50 3HD1 LEU 50 -3.677 18.185 -7.240
377 HD21 LEU 50 3HD2 LEU 50 -1.899 16.679 -8.236
378 HD22 LEU 50 1HD2 LEU 50 -1.755 15.018 -7.654
379 HD23 LEU 50 2HD2 LEU 50 -1.130 16.351 -6.681
380 H GLU 51 H GLU 51 -1.280 15.430 -2.084
381 HA GLU 51 HA GLU 51 -3.409 14.250 -0.516
382 HB2 GLU 51 2HB GLU 51 -2.284 12.462 -2.031
383 HB3 GLU 51 1HB GLU 51 -0.926 12.607 -0.928
384 HG2 GLU 51 2HG GLU 51 -1.961 11.462 0.693
385 HG3 GLU 51 1HG GLU 51 -3.522 12.221 0.373
Start of MODEL 2
1 H1 GLU 1 1HT GLU 1 -15.713 -3.895 3.716
2 H2 GLU 1 2HT GLU 1 -14.983 -5.395 4.003
3 H3 GLU 1 3HT GLU 1 -14.366 -4.376 2.804
4 HA GLU 1 HA GLU 1 -13.571 -2.833 4.343
5 HB2 GLU 1 2HB GLU 1 -15.035 -4.473 6.422
6 HB3 GLU 1 1HB GLU 1 -13.927 -3.160 6.788
7 HG2 GLU 1 2HG GLU 1 -15.966 -2.115 6.945
8 HG3 GLU 1 1HG GLU 1 -15.510 -1.756 5.282
9 H GLN 2 H GLN 2 -11.960 -4.232 3.179
10 HA GLN 2 HA GLN 2 -10.866 -6.477 4.573
11 HB2 GLN 2 2HB GLN 2 -10.771 -5.836 2.031
12 HB3 GLN 2 1HB GLN 2 -9.336 -4.939 2.511
13 HG2 GLN 2 2HG GLN 2 -8.309 -6.962 3.345
14 HG3 GLN 2 1HG GLN 2 -9.766 -7.883 2.985
15 HE21 GLN 2 1HE2 GLN 2 -10.177 -6.387 0.471
16 HE22 GLN 2 2HE2 GLN 2 -9.026 -7.025 -0.645
17 H VAL 3 H VAL 3 -8.663 -6.568 5.406
18 HA VAL 3 HA VAL 3 -8.172 -4.730 7.406
19 HB VAL 3 HB VAL 3 -5.823 -5.699 7.455
20 HG11 VAL 3 1HG1 VAL 3 -6.619 -7.861 8.286
21 HG12 VAL 3 2HG1 VAL 3 -8.179 -7.581 7.513
22 HG13 VAL 3 3HG1 VAL 3 -7.647 -6.537 8.832
23 HG21 VAL 3 3HG2 VAL 3 -6.956 -7.458 5.281
24 HG22 VAL 3 1HG2 VAL 3 -5.411 -7.684 6.097
25 HG23 VAL 3 2HG2 VAL 3 -5.670 -6.272 5.075
26 H VAL 4 H VAL 4 -7.023 -4.671 4.086
27 HA VAL 4 HA VAL 4 -4.995 -2.738 4.455
28 HB VAL 4 HB VAL 4 -5.164 -2.338 2.013
29 HG11 VAL 4 1HG1 VAL 4 -3.780 -4.144 2.873
30 HG12 VAL 4 2HG1 VAL 4 -4.502 -4.590 1.328
31 HG13 VAL 4 3HG1 VAL 4 -5.159 -5.241 2.829
32 HG21 VAL 4 3HG2 VAL 4 -7.402 -4.358 2.103
33 HG22 VAL 4 1HG2 VAL 4 -6.702 -3.628 0.658
34 HG23 VAL 4 2HG2 VAL 4 -7.600 -2.633 1.801
35 H ALA 5 H ALA 5 -8.447 -2.495 4.117
36 HA ALA 5 HA ALA 5 -8.376 0.365 3.634
37 HB1 ALA 5 3HB ALA 5 -10.736 -1.454 4.099
38 HB2 ALA 5 1HB ALA 5 -10.069 -1.025 2.523
39 HB3 ALA 5 2HB ALA 5 -10.798 0.219 3.540
40 H ILE 6 H ILE 6 -9.036 -1.891 6.247
41 HA ILE 6 HA ILE 6 -10.096 0.011 8.063
42 HB ILE 6 HB ILE 6 -8.697 -2.600 8.671
43 HG12 ILE 6 2HG1 ILE 6 -11.657 -2.003 8.413
44 HG13 ILE 6 1HG1 ILE 6 -10.685 -2.794 7.176
45 HG21 ILE 6 1HG2 ILE 6 -8.815 -1.114 10.612
46 HG22 ILE 6 2HG2 ILE 6 -9.878 -2.510 10.808
47 HG23 ILE 6 3HG2 ILE 6 -10.554 -0.942 10.374
48 HD11 ILE 6 3HD1 ILE 6 -11.308 -3.827 9.927
49 HD12 ILE 6 1HD1 ILE 6 -10.194 -4.601 8.801
50 HD13 ILE 6 2HD1 ILE 6 -11.902 -4.448 8.388
51 H ALA 7 H ALA 7 -6.843 -1.327 7.594
52 HA ALA 7 HA ALA 7 -5.593 0.069 9.688
53 HB1 ALA 7 3HB ALA 7 -3.497 -0.487 8.578
54 HB2 ALA 7 1HB ALA 7 -4.378 -0.918 7.112
55 HB3 ALA 7 2HB ALA 7 -4.591 -1.871 8.582
56 H SER 8 H SER 8 -6.069 0.906 6.275
57 HA SER 8 HA SER 8 -4.527 3.284 6.392
58 HB2 SER 8 2HB SER 8 -5.835 3.821 4.243
59 HB3 SER 8 1HB SER 8 -4.811 2.385 4.236
60 HG SER 8 HG SER 8 -6.514 1.170 4.019
61 H ASN 9 H ASN 9 -7.812 2.507 7.201
62 HA ASN 9 HA ASN 9 -8.831 5.160 7.130
63 HB2 ASN 9 2HB ASN 9 -10.181 2.993 7.157
64 HB3 ASN 9 1HB ASN 9 -9.865 2.932 8.886
65 HD21 ASN 9 1HD2 ASN 9 -12.100 3.076 9.277
66 HD22 ASN 9 2HD2 ASN 9 -12.940 4.580 9.138
67 H ILE 10 H ILE 10 -7.135 3.240 9.486
68 HA ILE 10 HA ILE 10 -7.524 5.145 11.629
69 HB ILE 10 HB ILE 10 -5.643 2.776 11.525
70 HG12 ILE 10 2HG1 ILE 10 -7.949 2.043 11.194
71 HG13 ILE 10 1HG1 ILE 10 -7.389 1.577 12.795
72 HG21 ILE 10 1HG2 ILE 10 -6.703 4.350 13.871
73 HG22 ILE 10 2HG2 ILE 10 -5.057 4.400 13.242
74 HG23 ILE 10 3HG2 ILE 10 -5.677 2.919 13.969
75 HD11 ILE 10 3HD1 ILE 10 -9.663 2.378 12.878
76 HD12 ILE 10 1HD1 ILE 10 -9.176 3.906 12.146
77 HD13 ILE 10 2HD1 ILE 10 -8.595 3.473 13.754
78 H GLY 11 H GLY 11 -4.908 4.095 9.484
79 HA2 GLY 11 2HA GLY 11 -2.943 5.851 10.569
80 HA3 GLY 11 1HA GLY 11 -2.843 4.999 9.037
81 H GLY 12 H GLY 12 -5.071 6.056 7.739
82 HA2 GLY 12 2HA GLY 12 -5.980 8.092 6.968
83 HA3 GLY 12 1HA GLY 12 -4.681 8.958 7.769
84 H LYS 13 H LYS 13 -3.176 6.471 6.293
85 HA LYS 13 HA LYS 13 -2.853 7.944 3.758
86 HB2 LYS 13 2HB LYS 13 -0.643 6.521 5.248
87 HB3 LYS 13 1HB LYS 13 -0.478 7.515 3.806
88 HG2 LYS 13 2HG LYS 13 -0.916 9.499 4.999
89 HG3 LYS 13 1HG LYS 13 -1.519 8.615 6.401
90 HD2 LYS 13 2HD LYS 13 1.333 8.630 5.407
91 HD3 LYS 13 1HD LYS 13 0.722 9.528 6.795
92 HE2 LYS 13 2HE LYS 13 1.012 6.552 6.474
93 HE3 LYS 13 1HE LYS 13 1.753 7.602 7.677
94 HZ1 LYS 13 3HZ LYS 13 0.085 6.754 8.914
95 HZ2 LYS 13 1HZ LYS 13 -0.939 6.478 7.593
96 HZ3 LYS 13 2HZ LYS 13 -0.776 8.039 8.241
97 H GLN 14 H GLN 14 -4.230 6.578 2.668
98 HA GLN 14 HA GLN 14 -4.425 3.841 2.755
99 HB2 GLN 14 2HB GLN 14 -5.987 5.273 1.551
100 HB3 GLN 14 1HB GLN 14 -4.753 5.648 0.357
101 HG2 GLN 14 2HG GLN 14 -4.686 3.200 -0.190
102 HG3 GLN 14 1HG GLN 14 -6.097 3.004 0.849
103 HE21 GLN 14 1HE2 GLN 14 -5.713 2.615 -2.054
104 HE22 GLN 14 2HE2 GLN 14 -6.935 3.578 -2.808
105 H ALA 15 H ALA 15 -2.298 5.706 0.580
106 HA ALA 15 HA ALA 15 -1.210 3.317 -0.577
107 HB1 ALA 15 3HB ALA 15 -0.314 6.178 -0.841
108 HB2 ALA 15 1HB ALA 15 -1.440 5.329 -1.899
109 HB3 ALA 15 2HB ALA 15 0.249 4.825 -1.824
110 H LEU 16 H LEU 16 -0.741 4.274 2.432
111 HA LEU 16 HA LEU 16 2.101 3.507 2.383
112 HB2 LEU 16 2HB LEU 16 0.739 5.669 3.919
113 HB3 LEU 16 1HB LEU 16 2.113 4.854 4.643
114 HG LEU 16 HG LEU 16 2.219 6.171 1.929
115 HD11 LEU 16 1HD1 LEU 16 1.741 7.891 3.522
116 HD12 LEU 16 2HD1 LEU 16 3.446 7.984 3.084
117 HD13 LEU 16 3HD1 LEU 16 2.968 7.271 4.624
118 HD21 LEU 16 3HD2 LEU 16 4.650 6.068 2.311
119 HD22 LEU 16 1HD2 LEU 16 3.908 4.466 2.273
120 HD23 LEU 16 2HD2 LEU 16 4.358 5.193 3.817
121 H GLU 17 H GLU 17 -0.941 3.408 4.185
122 HA GLU 17 HA GLU 17 0.047 1.529 6.100
123 HB2 GLU 17 2HB GLU 17 -2.614 2.688 5.419
124 HB3 GLU 17 1HB GLU 17 -2.590 1.185 6.328
125 HG2 GLU 17 2HG GLU 17 -2.745 2.996 7.867
126 HG3 GLU 17 1HG GLU 17 -1.143 2.278 8.015
127 H THR 18 H THR 18 -1.763 1.340 3.097
128 HA THR 18 HA THR 18 -2.314 -1.421 3.143
129 HB THR 18 HB THR 18 -2.018 0.446 0.784
130 HG1 THR 18 HG1 THR 18 -4.031 1.008 1.195
131 HG21 THR 18 3HG2 THR 18 -3.232 -2.310 0.984
132 HG22 THR 18 1HG2 THR 18 -1.869 -1.810 -0.021
133 HG23 THR 18 2HG2 THR 18 -3.493 -1.211 -0.372
134 H VAL 19 H VAL 19 0.438 0.440 1.924
135 HA VAL 19 HA VAL 19 1.673 -1.648 0.506
136 HB VAL 19 HB VAL 19 2.199 0.888 0.462
137 HG11 VAL 19 1HG1 VAL 19 4.112 1.600 1.758
138 HG12 VAL 19 2HG1 VAL 19 4.183 0.032 2.563
139 HG13 VAL 19 3HG1 VAL 19 2.805 1.101 2.832
140 HG21 VAL 19 3HG2 VAL 19 3.279 -0.672 -1.001
141 HG22 VAL 19 1HG2 VAL 19 4.350 -1.212 0.293
142 HG23 VAL 19 2HG2 VAL 19 4.495 0.424 -0.347
143 H GLN 20 H GLN 20 1.645 -0.888 3.912
144 HA GLN 20 HA GLN 20 3.841 -2.704 4.458
145 HB2 GLN 20 2HB GLN 20 3.352 -0.536 5.748
146 HB3 GLN 20 1HB GLN 20 2.057 -1.441 6.524
147 HG2 GLN 20 2HG GLN 20 3.888 -3.169 7.061
148 HG3 GLN 20 1HG GLN 20 5.011 -1.861 6.699
149 HE21 GLN 20 1HE2 GLN 20 5.762 -1.790 8.803
150 HE22 GLN 20 2HE2 GLN 20 4.817 -1.152 10.102
151 H ARG 21 H ARG 21 0.393 -2.748 4.348
152 HA ARG 21 HA ARG 21 0.132 -5.118 5.976
153 HB2 ARG 21 2HB ARG 21 -1.650 -3.400 5.899
154 HB3 ARG 21 1HB ARG 21 -1.910 -3.766 4.202
155 HG2 ARG 21 2HG ARG 21 -3.585 -4.818 5.642
156 HG3 ARG 21 1HG ARG 21 -2.634 -6.008 4.756
157 HD2 ARG 21 2HD ARG 21 -1.715 -5.236 7.477
158 HD3 ARG 21 1HD ARG 21 -3.145 -6.260 7.343
159 HE ARG 21 HE ARG 21 -1.068 -7.278 5.715
160 HH11 ARG 21 1HH1 ARG 21 -2.011 -7.002 9.076
161 HH12 ARG 21 2HH1 ARG 21 -1.115 -8.403 9.573
162 HH21 ARG 21 1HH2 ARG 21 0.091 -9.146 6.381
163 HH22 ARG 21 2HH2 ARG 21 0.076 -9.612 8.050
164 H LEU 22 H LEU 22 0.160 -4.312 2.545
165 HA LEU 22 HA LEU 22 -0.334 -7.058 1.784
166 HB2 LEU 22 2HB LEU 22 0.215 -4.537 0.248
167 HB3 LEU 22 1HB LEU 22 0.186 -6.098 -0.544
168 HG LEU 22 HG LEU 22 -2.126 -4.887 0.976
169 HD11 LEU 22 1HD1 LEU 22 -3.149 -4.624 -1.234
170 HD12 LEU 22 2HD1 LEU 22 -1.653 -5.180 -1.986
171 HD13 LEU 22 3HD1 LEU 22 -1.674 -3.671 -1.077
172 HD21 LEU 22 3HD2 LEU 22 -1.847 -7.431 -0.613
173 HD22 LEU 22 1HD2 LEU 22 -3.394 -6.731 -0.139
174 HD23 LEU 22 2HD2 LEU 22 -2.255 -7.267 1.093
175 H LEU 23 H LEU 23 2.339 -5.161 2.614
176 HA LEU 23 HA LEU 23 4.390 -6.075 1.022
177 HB2 LEU 23 2HB LEU 23 4.649 -4.285 2.648
178 HB3 LEU 23 1HB LEU 23 4.472 -5.424 3.966
179 HG LEU 23 HG LEU 23 6.572 -6.531 2.699
180 HD11 LEU 23 1HD1 LEU 23 8.079 -4.863 1.903
181 HD12 LEU 23 2HD1 LEU 23 6.970 -3.565 2.345
182 HD13 LEU 23 3HD1 LEU 23 6.559 -4.667 1.030
183 HD21 LEU 23 3HD2 LEU 23 6.652 -4.285 4.704
184 HD22 LEU 23 1HD2 LEU 23 7.960 -5.425 4.384
185 HD23 LEU 23 2HD2 LEU 23 6.434 -5.999 5.059
186 HA PRO 24 HA PRO 24 5.253 -9.813 4.021
187 HB2 PRO 24 2HB PRO 24 3.113 -10.605 5.558
188 HB3 PRO 24 1HB PRO 24 4.432 -9.583 6.142
189 HG2 PRO 24 2HG PRO 24 1.717 -8.795 5.158
190 HG3 PRO 24 1HG PRO 24 2.622 -8.184 6.556
191 HD2 PRO 24 2HD PRO 24 2.509 -6.797 4.276
192 HD3 PRO 24 1HD PRO 24 3.996 -6.853 5.247
193 H VAL 25 H VAL 25 1.985 -9.282 2.816
194 HA VAL 25 HA VAL 25 1.383 -11.981 2.219
195 HB VAL 25 HB VAL 25 0.280 -9.541 0.817
196 HG11 VAL 25 1HG1 VAL 25 -1.687 -10.935 0.441
197 HG12 VAL 25 2HG1 VAL 25 -0.892 -12.285 1.251
198 HG13 VAL 25 3HG1 VAL 25 -0.245 -11.665 -0.269
199 HG21 VAL 25 3HG2 VAL 25 0.036 -9.226 3.201
200 HG22 VAL 25 1HG2 VAL 25 -0.637 -10.848 3.377
201 HG23 VAL 25 2HG2 VAL 25 -1.532 -9.611 2.491
202 H LEU 26 H LEU 26 2.615 -9.314 0.226
203 HA LEU 26 HA LEU 26 2.853 -10.865 -2.132
204 HB2 LEU 26 2HB LEU 26 3.707 -8.174 -1.249
205 HB3 LEU 26 1HB LEU 26 4.616 -8.886 -2.566
206 HG LEU 26 HG LEU 26 2.859 -7.471 -3.449
207 HD11 LEU 26 1HD1 LEU 26 2.062 -10.342 -3.882
208 HD12 LEU 26 2HD1 LEU 26 3.475 -9.591 -4.621
209 HD13 LEU 26 3HD1 LEU 26 1.863 -8.983 -4.987
210 HD21 LEU 26 3HD2 LEU 26 1.330 -7.632 -1.525
211 HD22 LEU 26 1HD2 LEU 26 0.910 -9.272 -2.021
212 HD23 LEU 26 2HD2 LEU 26 0.519 -7.907 -3.067
213 H CYS 27 H CYS 27 4.956 -10.307 0.600
214 HA CYS 27 HA CYS 27 7.319 -11.332 -0.618
215 HB2 CYS 27 2HB CYS 27 6.565 -11.097 2.307
216 HB3 CYS 27 1HB CYS 27 8.173 -11.495 1.715
217 HG CYS 27 HG CYS 27 6.540 -8.527 1.224
218 H GLN 28 H GLN 28 4.760 -12.703 1.391
219 HA GLN 28 HA GLN 28 5.924 -15.287 1.615
220 HB2 GLN 28 2HB GLN 28 3.952 -14.022 2.931
221 HB3 GLN 28 1HB GLN 28 2.980 -14.990 1.830
222 HG2 GLN 28 2HG GLN 28 3.216 -16.229 3.834
223 HG3 GLN 28 1HG GLN 28 4.241 -16.998 2.626
224 HE21 GLN 28 1HE2 GLN 28 5.591 -17.944 4.110
225 HE22 GLN 28 2HE2 GLN 28 6.708 -17.039 5.070
226 H ALA 29 H ALA 29 3.525 -13.875 -0.570
227 HA ALA 29 HA ALA 29 3.034 -16.393 -1.879
228 HB1 ALA 29 3HB ALA 29 1.582 -15.119 -3.358
229 HB2 ALA 29 1HB ALA 29 2.185 -13.613 -2.670
230 HB3 ALA 29 2HB ALA 29 1.263 -14.732 -1.668
231 H HIS 30 H HIS 30 5.132 -13.644 -2.415
232 HA HIS 30 HA HIS 30 6.213 -15.052 -4.751
233 HB2 HIS 30 2HB HIS 30 5.215 -12.258 -4.619
234 HB3 HIS 30 1HB HIS 30 6.665 -12.559 -5.564
235 HD1 HIS 30 HD1 HIS 30 6.335 -13.410 -7.885
236 HD2 HIS 30 HD2 HIS 30 2.910 -13.787 -5.560
237 HE1 HIS 30 HE1 HIS 30 4.528 -14.160 -9.460
238 HE2 HIS 30 HE2 HIS 30 2.435 -14.213 -8.064
239 H GLY 31 H GLY 31 7.119 -11.889 -3.425
240 HA2 GLY 31 2HA GLY 31 8.994 -12.172 -1.651
241 HA3 GLY 31 1HA GLY 31 9.807 -12.987 -2.975
242 H LEU 32 H LEU 32 8.840 -11.197 -5.043
243 HA LEU 32 HA LEU 32 10.875 -9.227 -4.879
244 HB2 LEU 32 2HB LEU 32 9.781 -10.297 -6.961
245 HB3 LEU 32 1HB LEU 32 8.549 -9.067 -6.768
246 HG LEU 32 HG LEU 32 10.412 -7.349 -6.877
247 HD11 LEU 32 1HD1 LEU 32 12.289 -8.791 -6.396
248 HD12 LEU 32 2HD1 LEU 32 12.477 -8.088 -8.004
249 HD13 LEU 32 3HD1 LEU 32 11.948 -9.761 -7.829
250 HD21 LEU 32 3HD2 LEU 32 8.927 -7.675 -8.738
251 HD22 LEU 32 1HD2 LEU 32 9.823 -9.101 -9.257
252 HD23 LEU 32 2HD2 LEU 32 10.574 -7.510 -9.348
253 H THR 33 H THR 33 7.382 -9.133 -4.453
254 HA THR 33 HA THR 33 5.993 -7.677 -3.417
255 HB THR 33 HB THR 33 8.317 -6.142 -2.294
256 HG1 THR 33 HG1 THR 33 8.808 -8.370 -2.031
257 HG21 THR 33 3HG2 THR 33 6.803 -6.161 -0.283
258 HG22 THR 33 1HG2 THR 33 5.578 -6.918 -1.299
259 HG23 THR 33 2HG2 THR 33 6.162 -5.300 -1.684
260 HA PRO 34 HA PRO 34 6.672 -4.561 -6.741
261 HB2 PRO 34 2HB PRO 34 4.167 -4.691 -7.755
262 HB3 PRO 34 1HB PRO 34 5.434 -5.841 -8.202
263 HG2 PRO 34 2HG PRO 34 3.201 -6.154 -6.235
264 HG3 PRO 34 1HG PRO 34 3.804 -7.309 -7.437
265 HD2 PRO 34 2HD PRO 34 4.479 -7.431 -4.808
266 HD3 PRO 34 1HD PRO 34 5.559 -7.973 -6.106
267 H GLU 35 H GLU 35 4.633 -4.838 -4.030
268 HA GLU 35 HA GLU 35 3.040 -2.560 -4.211
269 HB2 GLU 35 2HB GLU 35 4.254 -3.717 -1.698
270 HB3 GLU 35 1HB GLU 35 2.833 -2.685 -1.788
271 HG2 GLU 35 2HG GLU 35 3.141 -5.540 -2.620
272 HG3 GLU 35 1HG GLU 35 1.963 -4.821 -1.523
273 H GLN 36 H GLN 36 6.359 -2.935 -3.035
274 HA GLN 36 HA GLN 36 6.546 -0.150 -2.308
275 HB2 GLN 36 2HB GLN 36 8.877 -0.647 -1.766
276 HB3 GLN 36 1HB GLN 36 7.797 -1.833 -1.046
277 HG2 GLN 36 2HG GLN 36 8.660 -3.527 -2.230
278 HG3 GLN 36 1HG GLN 36 8.822 -2.556 -3.694
279 HE21 GLN 36 1HE2 GLN 36 10.332 -3.554 -0.737
280 HE22 GLN 36 2HE2 GLN 36 11.917 -2.984 -1.111
281 H VAL 37 H VAL 37 6.272 -1.482 -5.171
282 HA VAL 37 HA VAL 37 8.290 0.215 -6.476
283 HB VAL 37 HB VAL 37 6.861 -2.170 -7.664
284 HG11 VAL 37 1HG1 VAL 37 9.210 -0.572 -8.682
285 HG12 VAL 37 2HG1 VAL 37 7.564 -0.506 -9.314
286 HG13 VAL 37 3HG1 VAL 37 8.504 -1.991 -9.458
287 HG21 VAL 37 3HG2 VAL 37 8.347 -2.892 -5.887
288 HG22 VAL 37 1HG2 VAL 37 9.668 -1.956 -6.585
289 HG23 VAL 37 2HG2 VAL 37 9.010 -3.338 -7.458
290 H VAL 38 H VAL 38 4.906 -0.874 -6.624
291 HA VAL 38 HA VAL 38 4.348 1.310 -8.492
292 HB VAL 38 HB VAL 38 3.523 -0.811 -9.249
293 HG11 VAL 38 1HG1 VAL 38 3.326 -1.995 -7.152
294 HG12 VAL 38 2HG1 VAL 38 1.798 -2.067 -8.030
295 HG13 VAL 38 3HG1 VAL 38 1.982 -0.964 -6.666
296 HG21 VAL 38 3HG2 VAL 38 1.110 -0.295 -9.495
297 HG22 VAL 38 1HG2 VAL 38 2.166 1.073 -9.842
298 HG23 VAL 38 2HG2 VAL 38 1.305 0.992 -8.308
299 H ALA 39 H ALA 39 3.132 0.046 -5.369
300 HA ALA 39 HA ALA 39 1.160 2.024 -5.023
301 HB1 ALA 39 3HB ALA 39 1.274 -0.104 -3.745
302 HB2 ALA 39 1HB ALA 39 1.030 1.321 -2.735
303 HB3 ALA 39 2HB ALA 39 2.619 0.566 -2.827
304 H ILE 40 H ILE 40 4.454 1.824 -3.704
305 HA ILE 40 HA ILE 40 4.432 4.285 -2.371
306 HB ILE 40 HB ILE 40 6.747 2.755 -3.565
307 HG12 ILE 40 2HG1 ILE 40 5.531 1.595 -1.770
308 HG13 ILE 40 1HG1 ILE 40 7.156 2.039 -1.264
309 HG21 ILE 40 1HG2 ILE 40 7.371 5.096 -3.348
310 HG22 ILE 40 2HG2 ILE 40 8.211 4.119 -2.144
311 HG23 ILE 40 3HG2 ILE 40 6.827 5.103 -1.671
312 HD11 ILE 40 3HD1 ILE 40 4.574 3.367 -0.488
313 HD12 ILE 40 1HD1 ILE 40 6.171 4.021 -0.119
314 HD13 ILE 40 2HD1 ILE 40 5.681 2.462 0.544
315 H ALA 41 H ALA 41 5.424 3.438 -5.662
316 HA ALA 41 HA ALA 41 6.337 5.960 -6.460
317 HB1 ALA 41 3HB ALA 41 6.826 3.975 -7.743
318 HB2 ALA 41 1HB ALA 41 5.984 5.143 -8.760
319 HB3 ALA 41 2HB ALA 41 5.116 3.753 -8.109
320 H SER 42 H SER 42 3.091 4.580 -6.446
321 HA SER 42 HA SER 42 1.864 6.600 -7.991
322 HB2 SER 42 2HB SER 42 0.621 4.826 -5.875
323 HB3 SER 42 1HB SER 42 -0.251 5.726 -7.114
324 HG SER 42 HG SER 42 1.699 3.727 -7.663
325 H HIS 43 H HIS 43 2.460 6.287 -4.526
326 HA HIS 43 HA HIS 43 0.958 8.671 -3.900
327 HB2 HIS 43 2HB HIS 43 0.984 6.896 -2.273
328 HB3 HIS 43 1HB HIS 43 2.742 6.909 -2.218
329 HD1 HIS 43 HD1 HIS 43 -0.260 8.962 -1.128
330 HD2 HIS 43 HD2 HIS 43 3.854 8.735 -0.465
331 HE1 HIS 43 HE1 HIS 43 0.212 10.507 0.795
332 HE2 HIS 43 HE2 HIS 43 2.674 10.253 1.263
333 H ASP 44 H ASP 44 4.359 7.761 -4.144
334 HA ASP 44 HA ASP 44 5.345 10.287 -3.243
335 HB2 ASP 44 2HB ASP 44 6.616 8.143 -3.103
336 HB3 ASP 44 1HB ASP 44 6.797 8.180 -4.854
337 H GLY 45 H GLY 45 5.159 8.778 -6.466
338 HA2 GLY 45 2HA GLY 45 5.621 11.456 -7.619
339 HA3 GLY 45 1HA GLY 45 6.009 9.940 -8.422
340 H GLY 46 H GLY 46 3.259 11.734 -7.077
341 HA2 GLY 46 2HA GLY 46 1.699 11.963 -9.272
342 HA3 GLY 46 1HA GLY 46 1.380 10.318 -8.748
343 H LYS 47 H LYS 47 1.294 10.475 -6.074
344 HA LYS 47 HA LYS 47 -0.986 12.267 -5.609
345 HB2 LYS 47 2HB LYS 47 -0.378 9.503 -4.898
346 HB3 LYS 47 1HB LYS 47 -0.918 10.448 -3.518
347 HG2 LYS 47 2HG LYS 47 -2.980 10.976 -4.609
348 HG3 LYS 47 1HG LYS 47 -2.415 10.267 -6.124
349 HD2 LYS 47 2HD LYS 47 -2.539 8.091 -5.293
350 HD3 LYS 47 1HD LYS 47 -2.560 8.632 -3.614
351 HE2 LYS 47 2HE LYS 47 -4.797 9.759 -4.268
352 HE3 LYS 47 1HE LYS 47 -4.766 8.649 -5.636
353 HZ1 LYS 47 3HZ LYS 47 -4.612 7.861 -2.776
354 HZ2 LYS 47 1HZ LYS 47 -4.616 6.803 -4.101
355 HZ3 LYS 47 2HZ LYS 47 -5.987 7.732 -3.760
356 H GLN 48 H GLN 48 1.826 13.076 -5.386
357 HA GLN 48 HA GLN 48 2.437 13.219 -2.584
358 HB2 GLN 48 2HB GLN 48 4.111 13.268 -4.525
359 HB3 GLN 48 1HB GLN 48 3.638 14.948 -4.738
360 HG2 GLN 48 2HG GLN 48 5.620 14.908 -3.430
361 HG3 GLN 48 1HG GLN 48 4.284 15.363 -2.376
362 HE21 GLN 48 1HE2 GLN 48 6.605 12.899 -3.159
363 HE22 GLN 48 2HE2 GLN 48 6.366 11.944 -1.739
364 H ALA 49 H ALA 49 1.202 15.418 -5.048
365 HA ALA 49 HA ALA 49 0.466 17.328 -2.932
366 HB1 ALA 49 3HB ALA 49 0.384 19.025 -4.667
367 HB2 ALA 49 1HB ALA 49 0.717 17.811 -5.901
368 HB3 ALA 49 2HB ALA 49 1.946 18.205 -4.699
369 H LEU 50 H LEU 50 -0.859 14.814 -4.348
370 HA LEU 50 HA LEU 50 -3.493 16.095 -4.669
371 HB2 LEU 50 2HB LEU 50 -2.254 13.812 -6.176
372 HB3 LEU 50 1HB LEU 50 -3.991 14.013 -6.109
373 HG LEU 50 HG LEU 50 -3.443 15.009 -8.121
374 HD11 LEU 50 1HD1 LEU 50 -3.219 17.369 -6.277
375 HD12 LEU 50 2HD1 LEU 50 -4.732 16.526 -6.604
376 HD13 LEU 50 3HD1 LEU 50 -3.869 17.330 -7.915
377 HD21 LEU 50 3HD2 LEU 50 -1.527 16.464 -8.499
378 HD22 LEU 50 1HD2 LEU 50 -1.022 14.891 -7.884
379 HD23 LEU 50 2HD2 LEU 50 -1.052 16.289 -6.810
380 H GLU 51 H GLU 51 -2.012 14.741 -2.358
381 HA GLU 51 HA GLU 51 -4.303 13.296 -1.362
382 HB2 GLU 51 2HB GLU 51 -2.838 11.608 -2.594
383 HB3 GLU 51 1HB GLU 51 -1.629 11.889 -1.349
384 HG2 GLU 51 2HG GLU 51 -3.001 10.978 0.330
385 HG3 GLU 51 1HG GLU 51 -4.430 11.029 -0.700
Start of MODEL 3
1 H1 GLU 1 1HT GLU 1 -13.732 -1.213 -0.248
2 H2 GLU 1 2HT GLU 1 -14.392 -2.101 1.035
3 H3 GLU 1 3HT GLU 1 -13.562 -2.899 -0.202
4 HA GLU 1 HA GLU 1 -11.510 -1.905 0.421
5 HB2 GLU 1 2HB GLU 1 -13.237 -0.445 2.414
6 HB3 GLU 1 1HB GLU 1 -11.505 -0.619 2.639
7 HG2 GLU 1 2HG GLU 1 -11.807 1.492 1.672
8 HG3 GLU 1 1HG GLU 1 -11.240 0.456 0.360
9 H GLN 2 H GLN 2 -10.330 -3.391 1.375
10 HA GLN 2 HA GLN 2 -11.604 -5.275 3.182
11 HB2 GLN 2 2HB GLN 2 -9.428 -6.538 2.931
12 HB3 GLN 2 1HB GLN 2 -10.351 -6.323 1.454
13 HG2 GLN 2 2HG GLN 2 -8.103 -4.489 2.201
14 HG3 GLN 2 1HG GLN 2 -7.832 -6.002 1.339
15 HE21 GLN 2 1HE2 GLN 2 -7.288 -3.333 0.422
16 HE22 GLN 2 2HE2 GLN 2 -8.256 -3.076 -0.990
17 H VAL 3 H VAL 3 -9.915 -6.140 4.936
18 HA VAL 3 HA VAL 3 -9.804 -4.229 6.936
19 HB VAL 3 HB VAL 3 -8.165 -5.777 8.079
20 HG11 VAL 3 1HG1 VAL 3 -10.533 -5.924 8.481
21 HG12 VAL 3 2HG1 VAL 3 -9.854 -7.548 8.387
22 HG13 VAL 3 3HG1 VAL 3 -10.755 -6.889 7.024
23 HG21 VAL 3 3HG2 VAL 3 -8.617 -7.397 5.575
24 HG22 VAL 3 1HG2 VAL 3 -7.925 -8.031 7.065
25 HG23 VAL 3 2HG2 VAL 3 -7.081 -6.769 6.169
26 H VAL 4 H VAL 4 -7.269 -5.118 4.633
27 HA VAL 4 HA VAL 4 -5.224 -3.609 5.920
28 HB VAL 4 HB VAL 4 -3.849 -4.007 4.001
29 HG11 VAL 4 1HG1 VAL 4 -4.368 -5.917 5.501
30 HG12 VAL 4 2HG1 VAL 4 -3.919 -6.402 3.867
31 HG13 VAL 4 3HG1 VAL 4 -5.610 -6.426 4.359
32 HG21 VAL 4 3HG2 VAL 4 -6.245 -5.053 2.508
33 HG22 VAL 4 1HG2 VAL 4 -4.616 -4.780 1.889
34 HG23 VAL 4 2HG2 VAL 4 -5.637 -3.409 2.327
35 H ALA 5 H ALA 5 -7.904 -2.637 4.144
36 HA ALA 5 HA ALA 5 -6.616 -0.191 3.177
37 HB1 ALA 5 3HB ALA 5 -9.384 -1.284 2.677
38 HB2 ALA 5 1HB ALA 5 -8.023 -1.296 1.553
39 HB3 ALA 5 2HB ALA 5 -8.767 0.233 2.024
40 H ILE 6 H ILE 6 -9.075 -1.364 5.391
41 HA ILE 6 HA ILE 6 -10.145 1.095 6.212
42 HB ILE 6 HB ILE 6 -9.842 -1.419 7.869
43 HG12 ILE 6 2HG1 ILE 6 -12.209 -0.548 6.197
44 HG13 ILE 6 1HG1 ILE 6 -10.996 -1.697 5.642
45 HG21 ILE 6 1HG2 ILE 6 -11.752 0.899 8.143
46 HG22 ILE 6 2HG2 ILE 6 -10.394 0.543 9.210
47 HG23 ILE 6 3HG2 ILE 6 -11.766 -0.566 9.124
48 HD11 ILE 6 3HD1 ILE 6 -12.770 -2.050 8.046
49 HD12 ILE 6 1HD1 ILE 6 -11.588 -3.212 7.445
50 HD13 ILE 6 2HD1 ILE 6 -13.001 -2.807 6.470
51 H ALA 7 H ALA 7 -7.509 -0.855 7.595
52 HA ALA 7 HA ALA 7 -6.857 0.861 9.713
53 HB1 ALA 7 3HB ALA 7 -5.013 -0.975 8.195
54 HB2 ALA 7 1HB ALA 7 -6.059 -1.452 9.530
55 HB3 ALA 7 2HB ALA 7 -4.739 -0.317 9.805
56 H SER 8 H SER 8 -5.835 0.826 6.355
57 HA SER 8 HA SER 8 -3.805 2.780 6.591
58 HB2 SER 8 2HB SER 8 -5.448 1.992 4.170
59 HB3 SER 8 1HB SER 8 -3.948 2.916 4.137
60 HG SER 8 HG SER 8 -4.363 0.195 4.650
61 H ASN 9 H ASN 9 -7.261 2.930 6.044
62 HA ASN 9 HA ASN 9 -7.321 5.701 5.342
63 HB2 ASN 9 2HB ASN 9 -9.085 4.083 4.669
64 HB3 ASN 9 1HB ASN 9 -9.564 3.934 6.355
65 HD21 ASN 9 1HD2 ASN 9 -8.591 6.939 4.807
66 HD22 ASN 9 2HD2 ASN 9 -10.144 7.689 4.896
67 H ILE 10 H ILE 10 -7.824 3.859 8.312
68 HA ILE 10 HA ILE 10 -8.606 6.068 9.916
69 HB ILE 10 HB ILE 10 -7.393 3.432 10.767
70 HG12 ILE 10 2HG1 ILE 10 -9.488 3.132 9.557
71 HG13 ILE 10 1HG1 ILE 10 -9.727 2.798 11.267
72 HG21 ILE 10 1HG2 ILE 10 -8.895 5.474 12.402
73 HG22 ILE 10 2HG2 ILE 10 -7.164 5.150 12.493
74 HG23 ILE 10 3HG2 ILE 10 -8.320 3.905 12.970
75 HD11 ILE 10 3HD1 ILE 10 -10.707 5.050 11.531
76 HD12 ILE 10 1HD1 ILE 10 -11.604 4.027 10.409
77 HD13 ILE 10 2HD1 ILE 10 -10.543 5.294 9.791
78 H GLY 11 H GLY 11 -5.503 4.476 9.304
79 HA2 GLY 11 2HA GLY 11 -4.073 6.208 11.106
80 HA3 GLY 11 1HA GLY 11 -3.366 5.037 10.004
81 H GLY 12 H GLY 12 -5.300 6.659 8.040
82 HA2 GLY 12 2HA GLY 12 -5.138 8.587 6.737
83 HA3 GLY 12 1HA GLY 12 -3.772 9.098 7.717
84 H LYS 13 H LYS 13 -2.406 6.550 7.351
85 HA LYS 13 HA LYS 13 -0.963 7.180 4.972
86 HB2 LYS 13 2HB LYS 13 -0.765 5.013 7.050
87 HB3 LYS 13 1HB LYS 13 0.242 4.987 5.610
88 HG2 LYS 13 2HG LYS 13 1.376 6.932 6.229
89 HG3 LYS 13 1HG LYS 13 0.143 7.377 7.412
90 HD2 LYS 13 2HD LYS 13 1.639 4.812 7.740
91 HD3 LYS 13 1HD LYS 13 2.411 6.334 8.199
92 HE2 LYS 13 2HE LYS 13 0.837 6.772 9.855
93 HE3 LYS 13 1HE LYS 13 -0.347 5.672 9.151
94 HZ1 LYS 13 3HZ LYS 13 0.733 3.826 10.000
95 HZ2 LYS 13 1HZ LYS 13 0.891 4.952 11.255
96 HZ3 LYS 13 2HZ LYS 13 2.199 4.644 10.232
97 H GLN 14 H GLN 14 -3.035 6.925 3.674
98 HA GLN 14 HA GLN 14 -4.332 4.572 3.117
99 HB2 GLN 14 2HB GLN 14 -3.591 6.781 1.202
100 HB3 GLN 14 1HB GLN 14 -4.773 5.527 0.865
101 HG2 GLN 14 2HG GLN 14 -6.062 6.323 2.852
102 HG3 GLN 14 1HG GLN 14 -4.930 7.674 2.963
103 HE21 GLN 14 1HE2 GLN 14 -7.540 6.262 1.180
104 HE22 GLN 14 2HE2 GLN 14 -7.867 7.625 0.173
105 H ALA 15 H ALA 15 -1.489 5.804 1.345
106 HA ALA 15 HA ALA 15 -1.120 3.099 0.260
107 HB1 ALA 15 3HB ALA 15 -0.244 5.796 -0.731
108 HB2 ALA 15 1HB ALA 15 -1.350 4.654 -1.495
109 HB3 ALA 15 2HB ALA 15 0.374 4.285 -1.403
110 H LEU 16 H LEU 16 -0.297 3.879 2.945
111 HA LEU 16 HA LEU 16 2.563 3.298 2.640
112 HB2 LEU 16 2HB LEU 16 1.324 5.561 4.036
113 HB3 LEU 16 1HB LEU 16 2.517 4.696 4.986
114 HG LEU 16 HG LEU 16 3.012 5.894 2.253
115 HD11 LEU 16 1HD1 LEU 16 3.817 6.843 4.999
116 HD12 LEU 16 2HD1 LEU 16 2.675 7.629 3.911
117 HD13 LEU 16 3HD1 LEU 16 4.380 7.529 3.476
118 HD21 LEU 16 3HD2 LEU 16 5.376 5.447 2.779
119 HD22 LEU 16 1HD2 LEU 16 4.424 3.968 2.652
120 HD23 LEU 16 2HD2 LEU 16 4.874 4.595 4.238
121 H GLU 17 H GLU 17 -0.341 3.061 4.624
122 HA GLU 17 HA GLU 17 0.912 1.307 6.530
123 HB2 GLU 17 2HB GLU 17 -1.233 2.870 6.732
124 HB3 GLU 17 1HB GLU 17 -2.048 1.402 6.209
125 HG2 GLU 17 2HG GLU 17 -2.113 1.405 8.560
126 HG3 GLU 17 1HG GLU 17 -0.887 0.221 8.100
127 H THR 18 H THR 18 -1.334 0.996 3.836
128 HA THR 18 HA THR 18 -1.713 -1.775 4.010
129 HB THR 18 HB THR 18 -2.935 0.148 2.625
130 HG1 THR 18 HG1 THR 18 -3.879 -1.834 2.877
131 HG21 THR 18 3HG2 THR 18 -2.562 -0.127 0.216
132 HG22 THR 18 1HG2 THR 18 -1.185 -1.176 0.553
133 HG23 THR 18 2HG2 THR 18 -1.137 0.521 1.026
134 H VAL 19 H VAL 19 0.877 0.120 2.624
135 HA VAL 19 HA VAL 19 1.873 -1.977 0.945
136 HB VAL 19 HB VAL 19 2.273 0.546 0.654
137 HG11 VAL 19 1HG1 VAL 19 4.352 1.398 1.646
138 HG12 VAL 19 2HG1 VAL 19 4.468 -0.063 2.624
139 HG13 VAL 19 3HG1 VAL 19 3.125 1.051 2.861
140 HG21 VAL 19 3HG2 VAL 19 4.492 0.137 -0.389
141 HG22 VAL 19 1HG2 VAL 19 3.271 -1.065 -0.814
142 HG23 VAL 19 2HG2 VAL 19 4.512 -1.448 0.380
143 H GLN 20 H GLN 20 2.098 -1.280 4.282
144 HA GLN 20 HA GLN 20 4.531 -2.857 4.596
145 HB2 GLN 20 2HB GLN 20 4.155 -0.737 5.905
146 HB3 GLN 20 1HB GLN 20 2.864 -1.568 6.761
147 HG2 GLN 20 2HG GLN 20 4.960 -1.534 8.022
148 HG3 GLN 20 1HG GLN 20 4.426 -3.171 7.650
149 HE21 GLN 20 1HE2 GLN 20 6.529 -3.964 7.950
150 HE22 GLN 20 2HE2 GLN 20 7.784 -3.693 6.788
151 H ARG 21 H ARG 21 1.083 -3.047 5.061
152 HA ARG 21 HA ARG 21 1.181 -5.476 6.595
153 HB2 ARG 21 2HB ARG 21 -0.673 -3.965 6.938
154 HB3 ARG 21 1HB ARG 21 -1.106 -4.041 5.237
155 HG2 ARG 21 2HG ARG 21 -2.640 -5.381 6.474
156 HG3 ARG 21 1HG ARG 21 -1.607 -6.454 5.530
157 HD2 ARG 21 2HD ARG 21 -0.180 -6.395 7.780
158 HD3 ARG 21 1HD ARG 21 -1.768 -6.061 8.466
159 HE ARG 21 HE ARG 21 -1.688 -8.317 6.675
160 HH11 ARG 21 1HH1 ARG 21 -1.357 -7.232 9.982
161 HH12 ARG 21 2HH1 ARG 21 -1.658 -8.797 10.665
162 HH21 ARG 21 1HH2 ARG 21 -2.055 -10.402 7.574
163 HH22 ARG 21 2HH2 ARG 21 -2.052 -10.598 9.291
164 H LEU 22 H LEU 22 0.583 -4.622 3.213
165 HA LEU 22 HA LEU 22 -0.011 -7.337 2.459
166 HB2 LEU 22 2HB LEU 22 0.564 -4.874 0.818
167 HB3 LEU 22 1HB LEU 22 0.111 -6.426 0.136
168 HG LEU 22 HG LEU 22 -1.605 -4.772 1.997
169 HD11 LEU 22 1HD1 LEU 22 -1.778 -5.221 -0.976
170 HD12 LEU 22 2HD1 LEU 22 -1.398 -3.707 -0.160
171 HD13 LEU 22 3HD1 LEU 22 -3.001 -4.419 0.007
172 HD21 LEU 22 3HD2 LEU 22 -2.143 -7.348 0.524
173 HD22 LEU 22 1HD2 LEU 22 -3.371 -6.381 1.338
174 HD23 LEU 22 2HD2 LEU 22 -2.070 -7.117 2.272
175 H LEU 23 H LEU 23 2.803 -5.504 2.942
176 HA LEU 23 HA LEU 23 4.585 -6.474 1.076
177 HB2 LEU 23 2HB LEU 23 5.116 -4.656 2.591
178 HB3 LEU 23 1HB LEU 23 5.102 -5.751 3.959
179 HG LEU 23 HG LEU 23 7.014 -6.977 2.725
180 HD11 LEU 23 1HD1 LEU 23 8.368 -5.498 1.296
181 HD12 LEU 23 2HD1 LEU 23 7.070 -4.305 1.339
182 HD13 LEU 23 3HD1 LEU 23 6.796 -5.874 0.585
183 HD21 LEU 23 3HD2 LEU 23 7.411 -4.234 3.906
184 HD22 LEU 23 1HD2 LEU 23 8.665 -5.462 3.720
185 HD23 LEU 23 2HD2 LEU 23 7.302 -5.750 4.801
186 HA PRO 24 HA PRO 24 5.899 -10.139 3.986
187 HB2 PRO 24 2HB PRO 24 4.024 -10.915 5.842
188 HB3 PRO 24 1HB PRO 24 5.410 -9.880 6.201
189 HG2 PRO 24 2HG PRO 24 2.569 -9.122 5.641
190 HG3 PRO 24 1HG PRO 24 3.684 -8.475 6.861
191 HD2 PRO 24 2HD PRO 24 3.183 -7.150 4.586
192 HD3 PRO 24 1HD PRO 24 4.801 -7.153 5.320
193 H VAL 25 H VAL 25 2.516 -9.633 3.181
194 HA VAL 25 HA VAL 25 1.867 -12.366 2.747
195 HB VAL 25 HB VAL 25 0.545 -9.911 1.573
196 HG11 VAL 25 1HG1 VAL 25 -0.079 -11.941 0.398
197 HG12 VAL 25 2HG1 VAL 25 -1.433 -11.362 1.368
198 HG13 VAL 25 3HG1 VAL 25 -0.470 -12.730 1.923
199 HG21 VAL 25 3HG2 VAL 25 -0.101 -11.423 4.104
200 HG22 VAL 25 1HG2 VAL 25 -1.025 -10.077 3.438
201 HG23 VAL 25 2HG2 VAL 25 0.623 -9.819 4.014
202 H LEU 26 H LEU 26 2.628 -9.701 0.519
203 HA LEU 26 HA LEU 26 2.638 -11.369 -1.787
204 HB2 LEU 26 2HB LEU 26 3.341 -8.549 -1.180
205 HB3 LEU 26 1HB LEU 26 4.007 -9.245 -2.642
206 HG LEU 26 HG LEU 26 1.962 -8.030 -3.136
207 HD11 LEU 26 1HD1 LEU 26 0.839 -9.682 -4.417
208 HD12 LEU 26 2HD1 LEU 26 1.386 -10.974 -3.351
209 HD13 LEU 26 3HD1 LEU 26 2.547 -10.128 -4.374
210 HD21 LEU 26 3HD2 LEU 26 0.859 -8.225 -0.970
211 HD22 LEU 26 1HD2 LEU 26 0.609 -9.949 -1.243
212 HD23 LEU 26 2HD2 LEU 26 -0.202 -8.767 -2.268
213 H CYS 27 H CYS 27 5.079 -10.347 0.502
214 HA CYS 27 HA CYS 27 7.290 -11.153 -1.096
215 HB2 CYS 27 2HB CYS 27 7.022 -10.561 1.841
216 HB3 CYS 27 1HB CYS 27 8.545 -11.056 1.110
217 HG CYS 27 HG CYS 27 6.772 -8.238 0.319
218 H GLN 28 H GLN 28 5.316 -12.769 1.326
219 HA GLN 28 HA GLN 28 7.015 -15.073 1.473
220 HB2 GLN 28 2HB GLN 28 5.382 -14.303 3.258
221 HB3 GLN 28 1HB GLN 28 4.096 -14.919 2.227
222 HG2 GLN 28 2HG GLN 28 5.174 -17.150 2.307
223 HG3 GLN 28 1HG GLN 28 6.330 -16.500 3.468
224 HE21 GLN 28 1HE2 GLN 28 5.677 -16.065 5.546
225 HE22 GLN 28 2HE2 GLN 28 4.166 -16.608 6.185
226 H ALA 29 H ALA 29 4.302 -14.050 -0.452
227 HA ALA 29 HA ALA 29 3.780 -16.624 -1.598
228 HB1 ALA 29 3HB ALA 29 2.269 -15.431 -3.090
229 HB2 ALA 29 1HB ALA 29 2.908 -13.888 -2.519
230 HB3 ALA 29 2HB ALA 29 2.022 -14.941 -1.413
231 H HIS 30 H HIS 30 5.113 -13.603 -2.982
232 HA HIS 30 HA HIS 30 6.459 -15.289 -4.990
233 HB2 HIS 30 2HB HIS 30 5.126 -12.633 -5.190
234 HB3 HIS 30 1HB HIS 30 6.512 -12.947 -6.226
235 HD1 HIS 30 HD1 HIS 30 3.147 -12.853 -6.674
236 HD2 HIS 30 HD2 HIS 30 5.886 -15.925 -7.257
237 HE1 HIS 30 HE1 HIS 30 2.070 -14.417 -8.319
238 HE2 HIS 30 HE2 HIS 30 3.820 -16.159 -8.793
239 H GLY 31 H GLY 31 6.837 -12.268 -3.126
240 HA2 GLY 31 2HA GLY 31 8.794 -11.562 -2.037
241 HA3 GLY 31 1HA GLY 31 9.662 -12.876 -2.808
242 H LEU 32 H LEU 32 7.695 -10.754 -4.716
243 HA LEU 32 HA LEU 32 10.145 -9.680 -5.931
244 HB2 LEU 32 2HB LEU 32 7.348 -9.897 -7.040
245 HB3 LEU 32 1HB LEU 32 8.714 -9.211 -7.895
246 HG LEU 32 HG LEU 32 8.605 -12.072 -6.946
247 HD11 LEU 32 1HD1 LEU 32 8.169 -12.648 -9.289
248 HD12 LEU 32 2HD1 LEU 32 7.997 -10.937 -9.668
249 HD13 LEU 32 3HD1 LEU 32 6.852 -11.714 -8.576
250 HD21 LEU 32 3HD2 LEU 32 10.449 -10.620 -8.832
251 HD22 LEU 32 1HD2 LEU 32 10.452 -12.365 -8.559
252 HD23 LEU 32 2HD2 LEU 32 10.857 -11.263 -7.240
253 H THR 33 H THR 33 7.999 -8.792 -3.699
254 HA THR 33 HA THR 33 7.041 -6.885 -2.918
255 HB THR 33 HB THR 33 8.670 -4.830 -3.210
256 HG1 THR 33 HG1 THR 33 9.872 -6.266 -4.843
257 HG21 THR 33 3HG2 THR 33 8.256 -6.099 -1.138
258 HG22 THR 33 1HG2 THR 33 9.944 -5.620 -1.302
259 HG23 THR 33 2HG2 THR 33 9.463 -7.283 -1.636
260 HA PRO 34 HA PRO 34 5.585 -5.241 -6.980
261 HB2 PRO 34 2HB PRO 34 3.011 -6.384 -6.542
262 HB3 PRO 34 1HB PRO 34 4.214 -6.870 -7.733
263 HG2 PRO 34 2HG PRO 34 3.409 -8.408 -5.579
264 HG3 PRO 34 1HG PRO 34 4.927 -8.618 -6.469
265 HD2 PRO 34 2HD PRO 34 4.425 -7.237 -3.864
266 HD3 PRO 34 1HD PRO 34 5.804 -8.242 -4.365
267 H GLU 35 H GLU 35 4.340 -5.263 -3.746
268 HA GLU 35 HA GLU 35 2.270 -3.358 -4.126
269 HB2 GLU 35 2HB GLU 35 2.132 -3.253 -1.717
270 HB3 GLU 35 1HB GLU 35 2.335 -4.925 -2.211
271 HG2 GLU 35 2HG GLU 35 4.462 -3.132 -1.055
272 HG3 GLU 35 1HG GLU 35 3.634 -4.449 -0.229
273 H GLN 36 H GLN 36 5.682 -3.109 -3.210
274 HA GLN 36 HA GLN 36 5.581 -0.322 -2.653
275 HB2 GLN 36 2HB GLN 36 7.865 -2.190 -3.275
276 HB3 GLN 36 1HB GLN 36 8.103 -0.483 -2.917
277 HG2 GLN 36 2HG GLN 36 6.845 -0.907 -0.760
278 HG3 GLN 36 1HG GLN 36 7.017 -2.625 -1.115
279 HE21 GLN 36 1HE2 GLN 36 8.259 -2.925 0.734
280 HE22 GLN 36 2HE2 GLN 36 9.901 -2.391 0.838
281 H VAL 37 H VAL 37 5.847 -2.141 -5.584
282 HA VAL 37 HA VAL 37 6.961 0.010 -7.138
283 HB VAL 37 HB VAL 37 5.573 -2.449 -8.210
284 HG11 VAL 37 1HG1 VAL 37 6.028 -0.685 -9.850
285 HG12 VAL 37 2HG1 VAL 37 7.019 -2.112 -10.151
286 HG13 VAL 37 3HG1 VAL 37 7.729 -0.691 -9.387
287 HG21 VAL 37 3HG2 VAL 37 7.276 -3.134 -6.606
288 HG22 VAL 37 1HG2 VAL 37 8.468 -2.128 -7.426
289 HG23 VAL 37 2HG2 VAL 37 7.771 -3.522 -8.253
290 H VAL 38 H VAL 38 3.807 -0.784 -6.052
291 HA VAL 38 HA VAL 38 2.705 1.033 -8.088
292 HB VAL 38 HB VAL 38 1.772 -1.179 -8.380
293 HG11 VAL 38 1HG1 VAL 38 2.060 -2.053 -6.131
294 HG12 VAL 38 2HG1 VAL 38 0.396 -2.256 -6.682
295 HG13 VAL 38 3HG1 VAL 38 0.794 -0.972 -5.541
296 HG21 VAL 38 3HG2 VAL 38 -0.631 -0.636 -8.177
297 HG22 VAL 38 1HG2 VAL 38 0.318 0.662 -8.899
298 HG23 VAL 38 2HG2 VAL 38 -0.200 0.778 -7.215
299 H ALA 39 H ALA 39 2.378 0.083 -4.659
300 HA ALA 39 HA ALA 39 0.584 2.211 -4.043
301 HB1 ALA 39 3HB ALA 39 0.705 0.150 -2.711
302 HB2 ALA 39 1HB ALA 39 0.927 1.594 -1.723
303 HB3 ALA 39 2HB ALA 39 2.318 0.609 -2.166
304 H ILE 40 H ILE 40 4.044 1.742 -3.290
305 HA ILE 40 HA ILE 40 4.443 4.255 -2.118
306 HB ILE 40 HB ILE 40 6.402 2.452 -3.546
307 HG12 ILE 40 2HG1 ILE 40 5.363 1.525 -1.507
308 HG13 ILE 40 1HG1 ILE 40 7.090 1.795 -1.304
309 HG21 ILE 40 1HG2 ILE 40 8.179 3.733 -2.418
310 HG22 ILE 40 2HG2 ILE 40 6.970 4.891 -1.866
311 HG23 ILE 40 3HG2 ILE 40 7.284 4.701 -3.591
312 HD11 ILE 40 3HD1 ILE 40 5.970 2.467 0.693
313 HD12 ILE 40 1HD1 ILE 40 4.844 3.477 -0.215
314 HD13 ILE 40 2HD1 ILE 40 6.550 3.917 -0.128
315 H ALA 41 H ALA 41 4.890 3.171 -5.458
316 HA ALA 41 HA ALA 41 5.911 5.543 -6.517
317 HB1 ALA 41 3HB ALA 41 5.946 3.396 -7.696
318 HB2 ALA 41 1HB ALA 41 5.253 4.680 -8.688
319 HB3 ALA 41 2HB ALA 41 4.200 3.497 -7.914
320 H SER 42 H SER 42 2.531 4.450 -6.237
321 HA SER 42 HA SER 42 1.459 6.741 -7.540
322 HB2 SER 42 2HB SER 42 0.098 4.780 -5.680
323 HB3 SER 42 1HB SER 42 -0.717 5.932 -6.740
324 HG SER 42 HG SER 42 0.720 3.602 -7.389
325 H HIS 43 H HIS 43 2.405 6.080 -4.256
326 HA HIS 43 HA HIS 43 0.914 8.306 -3.181
327 HB2 HIS 43 2HB HIS 43 1.267 6.485 -1.675
328 HB3 HIS 43 1HB HIS 43 2.999 6.479 -1.981
329 HD1 HIS 43 HD1 HIS 43 0.463 8.978 -0.571
330 HD2 HIS 43 HD2 HIS 43 4.369 7.673 -0.011
331 HE1 HIS 43 HE1 HIS 43 1.335 10.284 1.385
332 HE2 HIS 43 HE2 HIS 43 3.771 9.651 1.540
333 H ASP 44 H ASP 44 4.320 7.566 -3.778
334 HA ASP 44 HA ASP 44 5.279 10.111 -2.962
335 HB2 ASP 44 2HB ASP 44 6.543 7.877 -3.108
336 HB3 ASP 44 1HB ASP 44 6.725 8.243 -4.822
337 H GLY 45 H GLY 45 5.034 8.644 -6.214
338 HA2 GLY 45 2HA GLY 45 5.282 11.347 -7.338
339 HA3 GLY 45 1HA GLY 45 5.537 9.847 -8.217
340 H GLY 46 H GLY 46 2.822 10.839 -6.152
341 HA2 GLY 46 2HA GLY 46 1.103 11.276 -8.417
342 HA3 GLY 46 1HA GLY 46 0.795 9.750 -7.608
343 H LYS 47 H LYS 47 0.735 10.107 -5.070
344 HA LYS 47 HA LYS 47 -1.612 11.555 -4.569
345 HB2 LYS 47 2HB LYS 47 0.363 10.124 -2.873
346 HB3 LYS 47 1HB LYS 47 -0.772 11.206 -2.083
347 HG2 LYS 47 2HG LYS 47 -1.499 8.878 -3.852
348 HG3 LYS 47 1HG LYS 47 -1.594 8.918 -2.088
349 HD2 LYS 47 2HD LYS 47 -3.012 11.155 -2.816
350 HD3 LYS 47 1HD LYS 47 -3.421 10.010 -4.097
351 HE2 LYS 47 2HE LYS 47 -5.004 9.351 -2.626
352 HE3 LYS 47 1HE LYS 47 -3.678 8.419 -1.935
353 HZ1 LYS 47 3HZ LYS 47 -4.654 11.068 -1.029
354 HZ2 LYS 47 1HZ LYS 47 -3.250 10.323 -0.431
355 HZ3 LYS 47 2HZ LYS 47 -4.771 9.602 -0.189
356 H GLN 48 H GLN 48 1.610 12.680 -4.684
357 HA GLN 48 HA GLN 48 1.478 14.762 -2.793
358 HB2 GLN 48 2HB GLN 48 3.169 14.200 -5.190
359 HB3 GLN 48 1HB GLN 48 3.206 15.815 -4.500
360 HG2 GLN 48 2HG GLN 48 3.701 13.323 -2.901
361 HG3 GLN 48 1HG GLN 48 4.980 14.256 -3.678
362 HE21 GLN 48 1HE2 GLN 48 2.656 14.157 -1.107
363 HE22 GLN 48 2HE2 GLN 48 3.242 15.531 -0.239
364 H ALA 49 H ALA 49 -0.025 14.371 -5.839
365 HA ALA 49 HA ALA 49 -0.494 17.212 -6.223
366 HB1 ALA 49 3HB ALA 49 -1.658 16.549 -8.255
367 HB2 ALA 49 1HB ALA 49 -1.532 14.852 -7.793
368 HB3 ALA 49 2HB ALA 49 -0.078 15.773 -8.170
369 H LEU 50 H LEU 50 -1.752 14.907 -4.266
370 HA LEU 50 HA LEU 50 -4.445 16.114 -4.298
371 HB2 LEU 50 2HB LEU 50 -3.632 13.287 -3.607
372 HB3 LEU 50 1HB LEU 50 -5.210 13.950 -3.242
373 HG LEU 50 HG LEU 50 -5.606 12.752 -5.178
374 HD11 LEU 50 1HD1 LEU 50 -6.093 14.297 -6.913
375 HD12 LEU 50 2HD1 LEU 50 -4.872 15.429 -6.329
376 HD13 LEU 50 3HD1 LEU 50 -6.326 15.132 -5.376
377 HD21 LEU 50 3HD2 LEU 50 -4.118 12.763 -7.148
378 HD22 LEU 50 1HD2 LEU 50 -3.346 12.118 -5.698
379 HD23 LEU 50 2HD2 LEU 50 -2.974 13.756 -6.241
380 H GLU 51 H GLU 51 -1.987 14.564 -2.263
381 HA GLU 51 HA GLU 51 -3.187 15.545 0.178
382 HB2 GLU 51 2HB GLU 51 -0.600 14.058 -0.341
383 HB3 GLU 51 1HB GLU 51 -1.228 14.443 1.255
384 HG2 GLU 51 2HG GLU 51 -3.108 13.018 0.949
385 HG3 GLU 51 1HG GLU 51 -2.730 12.788 -0.757
Start of MODEL 4
1 H1 GLU 1 1HT GLU 1 -15.034 -5.133 5.659
2 H2 GLU 1 2HT GLU 1 -15.455 -3.502 5.533
3 H3 GLU 1 3HT GLU 1 -14.344 -4.005 6.704
4 HA GLU 1 HA GLU 1 -13.890 -4.291 3.804
5 HB2 GLU 1 2HB GLU 1 -13.311 -2.032 5.682
6 HB3 GLU 1 1HB GLU 1 -12.177 -2.375 4.382
7 HG2 GLU 1 2HG GLU 1 -15.111 -1.944 3.902
8 HG3 GLU 1 1HG GLU 1 -13.936 -0.628 3.917
9 H GLN 2 H GLN 2 -11.560 -4.597 3.368
10 HA GLN 2 HA GLN 2 -10.488 -6.632 5.034
11 HB2 GLN 2 2HB GLN 2 -10.173 -6.515 2.564
12 HB3 GLN 2 1HB GLN 2 -9.130 -5.119 2.794
13 HG2 GLN 2 2HG GLN 2 -7.527 -6.446 3.985
14 HG3 GLN 2 1HG GLN 2 -8.602 -7.838 3.959
15 HE21 GLN 2 1HE2 GLN 2 -8.213 -5.726 1.201
16 HE22 GLN 2 2HE2 GLN 2 -7.374 -6.866 0.213
17 H VAL 3 H VAL 3 -8.499 -6.614 6.194
18 HA VAL 3 HA VAL 3 -8.137 -4.526 7.965
19 HB VAL 3 HB VAL 3 -5.869 -5.528 8.430
20 HG11 VAL 3 1HG1 VAL 3 -6.799 -7.614 9.336
21 HG12 VAL 3 2HG1 VAL 3 -8.252 -7.373 8.360
22 HG13 VAL 3 3HG1 VAL 3 -7.846 -6.225 9.637
23 HG21 VAL 3 3HG2 VAL 3 -6.725 -7.483 6.296
24 HG22 VAL 3 1HG2 VAL 3 -5.339 -7.669 7.369
25 HG23 VAL 3 2HG2 VAL 3 -5.372 -6.357 6.192
26 H VAL 4 H VAL 4 -6.692 -4.948 4.799
27 HA VAL 4 HA VAL 4 -4.629 -3.027 5.096
28 HB VAL 4 HB VAL 4 -4.282 -3.173 2.751
29 HG11 VAL 4 1HG1 VAL 4 -5.288 -5.844 3.719
30 HG12 VAL 4 2HG1 VAL 4 -3.674 -5.182 3.978
31 HG13 VAL 4 3HG1 VAL 4 -4.212 -5.584 2.349
32 HG21 VAL 4 3HG2 VAL 4 -7.007 -4.439 2.491
33 HG22 VAL 4 1HG2 VAL 4 -5.859 -4.148 1.183
34 HG23 VAL 4 2HG2 VAL 4 -6.596 -2.786 2.030
35 H ALA 5 H ALA 5 -8.015 -2.777 4.495
36 HA ALA 5 HA ALA 5 -7.788 -0.007 3.579
37 HB1 ALA 5 3HB ALA 5 -10.204 -0.182 3.156
38 HB2 ALA 5 1HB ALA 5 -10.184 -1.824 3.794
39 HB3 ALA 5 2HB ALA 5 -9.296 -1.440 2.322
40 H ILE 6 H ILE 6 -8.511 -1.903 6.361
41 HA ILE 6 HA ILE 6 -10.020 0.092 7.758
42 HB ILE 6 HB ILE 6 -8.558 -2.330 8.835
43 HG12 ILE 6 2HG1 ILE 6 -11.499 -1.934 8.236
44 HG13 ILE 6 1HG1 ILE 6 -10.378 -2.827 7.215
45 HG21 ILE 6 1HG2 ILE 6 -8.901 -0.667 10.572
46 HG22 ILE 6 2HG2 ILE 6 -9.969 -2.053 10.824
47 HG23 ILE 6 3HG2 ILE 6 -10.613 -0.553 10.149
48 HD11 ILE 6 3HD1 ILE 6 -10.026 -4.449 8.976
49 HD12 ILE 6 1HD1 ILE 6 -11.744 -4.293 8.610
50 HD13 ILE 6 2HD1 ILE 6 -11.078 -3.531 10.053
51 H ALA 7 H ALA 7 -6.686 -1.109 7.986
52 HA ALA 7 HA ALA 7 -5.806 0.666 9.969
53 HB1 ALA 7 3HB ALA 7 -3.547 0.065 9.256
54 HB2 ALA 7 1HB ALA 7 -4.196 -0.658 7.788
55 HB3 ALA 7 2HB ALA 7 -4.581 -1.359 9.358
56 H SER 8 H SER 8 -5.863 0.951 6.443
57 HA SER 8 HA SER 8 -4.385 3.379 6.345
58 HB2 SER 8 2HB SER 8 -5.498 3.493 4.006
59 HB3 SER 8 1HB SER 8 -4.364 2.183 4.340
60 HG SER 8 HG SER 8 -5.924 0.810 4.071
61 H ASN 9 H ASN 9 -7.799 2.604 6.550
62 HA ASN 9 HA ASN 9 -8.817 5.178 6.014
63 HB2 ASN 9 2HB ASN 9 -9.979 2.792 6.313
64 HB3 ASN 9 1HB ASN 9 -10.248 3.409 7.941
65 HD21 ASN 9 1HD2 ASN 9 -12.474 3.496 7.630
66 HD22 ASN 9 2HD2 ASN 9 -13.219 4.699 6.632
67 H ILE 10 H ILE 10 -7.726 3.611 8.964
68 HA ILE 10 HA ILE 10 -8.500 5.816 10.655
69 HB ILE 10 HB ILE 10 -6.696 3.475 11.301
70 HG12 ILE 10 2HG1 ILE 10 -9.634 3.752 11.947
71 HG13 ILE 10 1HG1 ILE 10 -9.050 2.903 10.519
72 HG21 ILE 10 1HG2 ILE 10 -7.256 3.972 13.630
73 HG22 ILE 10 2HG2 ILE 10 -8.206 5.363 13.106
74 HG23 ILE 10 3HG2 ILE 10 -6.460 5.343 12.852
75 HD11 ILE 10 3HD1 ILE 10 -7.825 1.348 11.951
76 HD12 ILE 10 1HD1 ILE 10 -9.549 1.356 12.322
77 HD13 ILE 10 2HD1 ILE 10 -8.414 2.201 13.374
78 H GLY 11 H GLY 11 -5.433 4.445 9.487
79 HA2 GLY 11 2HA GLY 11 -3.759 6.348 10.731
80 HA3 GLY 11 1HA GLY 11 -3.316 5.315 9.384
81 H GLY 12 H GLY 12 -5.557 6.477 7.744
82 HA2 GLY 12 2HA GLY 12 -6.051 8.450 6.573
83 HA3 GLY 12 1HA GLY 12 -4.734 9.257 7.413
84 H LYS 13 H LYS 13 -3.044 6.832 6.736
85 HA LYS 13 HA LYS 13 -2.066 7.859 4.223
86 HB2 LYS 13 2HB LYS 13 -1.031 5.738 6.107
87 HB3 LYS 13 1HB LYS 13 -0.239 6.148 4.590
88 HG2 LYS 13 2HG LYS 13 0.465 8.198 5.349
89 HG3 LYS 13 1HG LYS 13 -0.824 8.312 6.550
90 HD2 LYS 13 2HD LYS 13 1.304 6.215 6.775
91 HD3 LYS 13 1HD LYS 13 1.589 7.859 7.352
92 HE2 LYS 13 2HE LYS 13 -0.078 7.708 8.977
93 HE3 LYS 13 1HE LYS 13 -0.862 6.344 8.183
94 HZ1 LYS 13 3HZ LYS 13 0.611 4.863 9.059
95 HZ2 LYS 13 1HZ LYS 13 0.612 6.014 10.302
96 HZ3 LYS 13 2HZ LYS 13 1.874 5.989 9.176
97 H GLN 14 H GLN 14 -3.948 7.209 2.990
98 HA GLN 14 HA GLN 14 -4.552 4.424 2.656
99 HB2 GLN 14 2HB GLN 14 -5.421 6.865 1.107
100 HB3 GLN 14 1HB GLN 14 -6.040 5.242 0.828
101 HG2 GLN 14 2HG GLN 14 -6.903 5.171 3.106
102 HG3 GLN 14 1HG GLN 14 -6.279 6.795 3.393
103 HE21 GLN 14 1HE2 GLN 14 -8.679 4.894 1.738
104 HE22 GLN 14 2HE2 GLN 14 -9.732 6.205 1.340
105 H ALA 15 H ALA 15 -2.000 4.443 2.266
106 HA ALA 15 HA ALA 15 -1.621 3.403 -0.338
107 HB1 ALA 15 3HB ALA 15 -0.222 6.024 0.229
108 HB2 ALA 15 1HB ALA 15 -1.498 5.772 -0.964
109 HB3 ALA 15 2HB ALA 15 0.063 4.975 -1.159
110 H LEU 16 H LEU 16 0.092 4.985 2.335
111 HA LEU 16 HA LEU 16 2.289 3.151 2.215
112 HB2 LEU 16 2HB LEU 16 1.598 5.059 4.440
113 HB3 LEU 16 1HB LEU 16 3.163 4.351 4.098
114 HG LEU 16 HG LEU 16 1.738 6.319 2.310
115 HD11 LEU 16 1HD1 LEU 16 4.088 6.735 4.152
116 HD12 LEU 16 2HD1 LEU 16 2.450 7.328 4.428
117 HD13 LEU 16 3HD1 LEU 16 3.388 7.931 3.064
118 HD21 LEU 16 3HD2 LEU 16 3.783 6.402 1.057
119 HD22 LEU 16 1HD2 LEU 16 3.260 4.722 1.168
120 HD23 LEU 16 2HD2 LEU 16 4.572 5.307 2.188
121 H GLU 17 H GLU 17 -0.575 3.538 4.236
122 HA GLU 17 HA GLU 17 0.172 1.565 6.134
123 HB2 GLU 17 2HB GLU 17 -1.715 3.498 6.084
124 HB3 GLU 17 1HB GLU 17 -2.700 2.085 5.726
125 HG2 GLU 17 2HG GLU 17 -2.550 2.683 8.140
126 HG3 GLU 17 1HG GLU 17 -2.082 1.029 7.749
127 H THR 18 H THR 18 -1.779 1.493 3.178
128 HA THR 18 HA THR 18 -2.663 -1.179 3.563
129 HB THR 18 HB THR 18 -3.971 0.258 2.144
130 HG1 THR 18 HG1 THR 18 -3.480 -1.194 0.043
131 HG21 THR 18 3HG2 THR 18 -3.179 1.030 -0.038
132 HG22 THR 18 1HG2 THR 18 -1.581 0.370 0.304
133 HG23 THR 18 2HG2 THR 18 -2.214 1.698 1.274
134 H VAL 19 H VAL 19 0.061 0.262 1.764
135 HA VAL 19 HA VAL 19 0.888 -2.192 0.604
136 HB VAL 19 HB VAL 19 1.585 0.108 -0.192
137 HG11 VAL 19 1HG1 VAL 19 2.267 0.990 2.015
138 HG12 VAL 19 2HG1 VAL 19 3.513 1.168 0.780
139 HG13 VAL 19 3HG1 VAL 19 3.649 -0.106 1.994
140 HG21 VAL 19 3HG2 VAL 19 3.885 -0.652 -0.829
141 HG22 VAL 19 1HG2 VAL 19 2.597 -1.810 -1.164
142 HG23 VAL 19 2HG2 VAL 19 3.648 -2.040 0.233
143 H GLN 20 H GLN 20 1.397 -0.717 3.705
144 HA GLN 20 HA GLN 20 3.634 -2.290 4.492
145 HB2 GLN 20 2HB GLN 20 2.287 -0.108 5.525
146 HB3 GLN 20 1HB GLN 20 1.900 -1.394 6.656
147 HG2 GLN 20 2HG GLN 20 3.827 -0.283 7.461
148 HG3 GLN 20 1HG GLN 20 4.332 -1.859 6.861
149 HE21 GLN 20 1HE2 GLN 20 3.563 0.905 4.840
150 HE22 GLN 20 2HE2 GLN 20 5.169 1.152 4.253
151 H ARG 21 H ARG 21 0.229 -2.798 4.365
152 HA ARG 21 HA ARG 21 0.351 -5.115 6.131
153 HB2 ARG 21 2HB ARG 21 -1.535 -3.456 6.240
154 HB3 ARG 21 1HB ARG 21 -2.037 -4.004 4.648
155 HG2 ARG 21 2HG ARG 21 -3.392 -5.101 6.271
156 HG3 ARG 21 1HG ARG 21 -2.287 -6.299 5.594
157 HD2 ARG 21 2HD ARG 21 -1.046 -5.063 7.851
158 HD3 ARG 21 1HD ARG 21 -2.663 -5.592 8.306
159 HE ARG 21 HE ARG 21 -0.964 -7.509 6.906
160 HH11 ARG 21 1HH1 ARG 21 -2.386 -6.420 9.922
161 HH12 ARG 21 2HH1 ARG 21 -2.061 -7.908 10.756
162 HH21 ARG 21 1HH2 ARG 21 -0.559 -9.467 8.006
163 HH22 ARG 21 2HH2 ARG 21 -1.028 -9.637 9.669
164 H LEU 22 H LEU 22 0.138 -4.291 2.757
165 HA LEU 22 HA LEU 22 -0.518 -6.984 1.929
166 HB2 LEU 22 2HB LEU 22 0.178 -4.473 0.421
167 HB3 LEU 22 1HB LEU 22 -0.086 -6.012 -0.378
168 HG LEU 22 HG LEU 22 -2.145 -4.633 1.345
169 HD11 LEU 22 1HD1 LEU 22 -1.860 -4.679 -1.650
170 HD12 LEU 22 2HD1 LEU 22 -1.671 -3.276 -0.602
171 HD13 LEU 22 3HD1 LEU 22 -3.247 -4.049 -0.764
172 HD21 LEU 22 3HD2 LEU 22 -2.280 -7.007 -0.510
173 HD22 LEU 22 1HD2 LEU 22 -3.683 -6.207 0.197
174 HD23 LEU 22 2HD2 LEU 22 -2.510 -7.005 1.239
175 H LEU 23 H LEU 23 2.303 -5.172 2.585
176 HA LEU 23 HA LEU 23 4.193 -6.289 0.906
177 HB2 LEU 23 2HB LEU 23 4.405 -4.407 2.667
178 HB3 LEU 23 1HB LEU 23 4.806 -5.696 3.783
179 HG LEU 23 HG LEU 23 6.649 -6.336 2.130
180 HD11 LEU 23 1HD1 LEU 23 7.449 -4.512 0.704
181 HD12 LEU 23 2HD1 LEU 23 6.028 -3.560 1.133
182 HD13 LEU 23 3HD1 LEU 23 5.842 -5.058 0.226
183 HD21 LEU 23 3HD2 LEU 23 6.851 -3.660 3.508
184 HD22 LEU 23 1HD2 LEU 23 8.181 -4.746 3.100
185 HD23 LEU 23 2HD2 LEU 23 6.996 -5.221 4.314
186 HA PRO 24 HA PRO 24 5.012 -9.868 4.073
187 HB2 PRO 24 2HB PRO 24 3.055 -10.422 5.882
188 HB3 PRO 24 1HB PRO 24 4.420 -9.355 6.224
189 HG2 PRO 24 2HG PRO 24 1.628 -8.648 5.413
190 HG3 PRO 24 1HG PRO 24 2.647 -7.916 6.667
191 HD2 PRO 24 2HD PRO 24 2.344 -6.766 4.259
192 HD3 PRO 24 1HD PRO 24 3.885 -6.704 5.139
193 H VAL 25 H VAL 25 2.269 -9.161 2.292
194 HA VAL 25 HA VAL 25 1.343 -11.944 2.211
195 HB VAL 25 HB VAL 25 0.125 -9.549 0.820
196 HG11 VAL 25 1HG1 VAL 25 -1.858 -10.969 0.633
197 HG12 VAL 25 2HG1 VAL 25 -0.991 -12.290 1.418
198 HG13 VAL 25 3HG1 VAL 25 -0.467 -11.707 -0.164
199 HG21 VAL 25 3HG2 VAL 25 0.084 -9.200 3.232
200 HG22 VAL 25 1HG2 VAL 25 -0.637 -10.793 3.462
201 HG23 VAL 25 2HG2 VAL 25 -1.539 -9.531 2.625
202 H LEU 26 H LEU 26 2.142 -9.319 -0.061
203 HA LEU 26 HA LEU 26 2.355 -11.023 -2.319
204 HB2 LEU 26 2HB LEU 26 2.915 -8.194 -1.697
205 HB3 LEU 26 1HB LEU 26 3.826 -8.871 -3.032
206 HG LEU 26 HG LEU 26 1.804 -7.734 -3.809
207 HD11 LEU 26 1HD1 LEU 26 0.984 -9.457 -5.250
208 HD12 LEU 26 2HD1 LEU 26 1.548 -10.713 -4.149
209 HD13 LEU 26 3HD1 LEU 26 2.715 -9.706 -5.013
210 HD21 LEU 26 3HD2 LEU 26 0.395 -8.067 -1.848
211 HD22 LEU 26 1HD2 LEU 26 0.319 -9.794 -2.187
212 HD23 LEU 26 2HD2 LEU 26 -0.408 -8.645 -3.305
213 H CYS 27 H CYS 27 4.693 -9.768 0.002
214 HA CYS 27 HA CYS 27 6.952 -10.797 -1.405
215 HB2 CYS 27 2HB CYS 27 6.596 -9.775 1.406
216 HB3 CYS 27 1HB CYS 27 8.142 -10.346 0.788
217 HG CYS 27 HG CYS 27 6.370 -7.755 -0.613
218 H GLN 28 H GLN 28 4.569 -12.263 0.468
219 HA GLN 28 HA GLN 28 6.304 -14.432 1.350
220 HB2 GLN 28 2HB GLN 28 4.287 -13.398 2.668
221 HB3 GLN 28 1HB GLN 28 3.322 -14.460 1.652
222 HG2 GLN 28 2HG GLN 28 3.814 -15.486 3.802
223 HG3 GLN 28 1HG GLN 28 4.550 -16.390 2.478
224 HE21 GLN 28 1HE2 GLN 28 6.763 -16.510 2.327
225 HE22 GLN 28 2HE2 GLN 28 7.822 -15.931 3.569
226 H ALA 29 H ALA 29 3.648 -13.798 -0.887
227 HA ALA 29 HA ALA 29 3.524 -16.506 -1.832
228 HB1 ALA 29 3HB ALA 29 1.939 -15.661 -3.461
229 HB2 ALA 29 1HB ALA 29 2.370 -14.000 -3.046
230 HB3 ALA 29 2HB ALA 29 1.566 -15.025 -1.856
231 H HIS 30 H HIS 30 5.012 -13.504 -2.966
232 HA HIS 30 HA HIS 30 6.320 -15.070 -5.098
233 HB2 HIS 30 2HB HIS 30 5.270 -12.263 -5.081
234 HB3 HIS 30 1HB HIS 30 6.603 -12.691 -6.146
235 HD1 HIS 30 HD1 HIS 30 6.079 -14.106 -8.195
236 HD2 HIS 30 HD2 HIS 30 2.787 -13.472 -5.733
237 HE1 HIS 30 HE1 HIS 30 4.085 -14.884 -9.513
238 HE2 HIS 30 HE2 HIS 30 2.123 -14.624 -7.954
239 H GLY 31 H GLY 31 6.791 -12.166 -3.075
240 HA2 GLY 31 2HA GLY 31 8.669 -11.653 -1.786
241 HA3 GLY 31 1HA GLY 31 9.477 -13.065 -2.450
242 H LEU 32 H LEU 32 7.996 -10.818 -4.627
243 HA LEU 32 HA LEU 32 10.681 -9.955 -5.457
244 HB2 LEU 32 2HB LEU 32 9.045 -11.205 -7.028
245 HB3 LEU 32 1HB LEU 32 8.191 -9.678 -7.110
246 HG LEU 32 HG LEU 32 10.377 -8.640 -7.886
247 HD11 LEU 32 1HD1 LEU 32 11.921 -10.330 -7.192
248 HD12 LEU 32 2HD1 LEU 32 11.949 -10.241 -8.954
249 HD13 LEU 32 3HD1 LEU 32 11.090 -11.553 -8.153
250 HD21 LEU 32 3HD2 LEU 32 8.979 -10.710 -9.571
251 HD22 LEU 32 1HD2 LEU 32 10.089 -9.496 -10.202
252 HD23 LEU 32 2HD2 LEU 32 8.585 -8.998 -9.434
253 H THR 33 H THR 33 8.334 -8.893 -3.563
254 HA THR 33 HA THR 33 7.447 -6.910 -2.885
255 HB THR 33 HB THR 33 9.452 -5.049 -3.604
256 HG1 THR 33 HG1 THR 33 10.737 -6.865 -4.207
257 HG21 THR 33 3HG2 THR 33 9.255 -6.633 -1.045
258 HG22 THR 33 1HG2 THR 33 8.193 -5.286 -1.448
259 HG23 THR 33 2HG2 THR 33 9.925 -5.016 -1.263
260 HA PRO 34 HA PRO 34 6.490 -5.316 -7.178
261 HB2 PRO 34 2HB PRO 34 4.229 -6.576 -7.773
262 HB3 PRO 34 1HB PRO 34 5.781 -7.407 -7.936
263 HG2 PRO 34 2HG PRO 34 3.752 -7.604 -5.746
264 HG3 PRO 34 1HG PRO 34 4.679 -8.896 -6.533
265 HD2 PRO 34 2HD PRO 34 5.337 -7.720 -4.108
266 HD3 PRO 34 1HD PRO 34 6.474 -8.587 -5.159
267 H GLU 35 H GLU 35 5.228 -5.143 -4.130
268 HA GLU 35 HA GLU 35 2.840 -3.624 -4.805
269 HB2 GLU 35 2HB GLU 35 3.654 -3.581 -2.001
270 HB3 GLU 35 1HB GLU 35 2.131 -4.078 -2.715
271 HG2 GLU 35 2HG GLU 35 2.900 -5.989 -1.661
272 HG3 GLU 35 1HG GLU 35 3.351 -6.238 -3.345
273 H GLN 36 H GLN 36 5.763 -3.121 -2.852
274 HA GLN 36 HA GLN 36 5.437 -0.375 -2.458
275 HB2 GLN 36 2HB GLN 36 7.842 -0.347 -1.919
276 HB3 GLN 36 1HB GLN 36 6.999 -1.682 -1.145
277 HG2 GLN 36 2HG GLN 36 8.147 -3.243 -2.290
278 HG3 GLN 36 1HG GLN 36 8.206 -2.276 -3.761
279 HE21 GLN 36 1HE2 GLN 36 9.749 -2.998 -0.746
280 HE22 GLN 36 2HE2 GLN 36 11.231 -2.172 -1.075
281 H VAL 37 H VAL 37 6.836 -2.099 -5.168
282 HA VAL 37 HA VAL 37 8.232 -0.017 -6.383
283 HB VAL 37 HB VAL 37 6.831 -2.378 -7.636
284 HG11 VAL 37 1HG1 VAL 37 7.185 -0.611 -9.299
285 HG12 VAL 37 2HG1 VAL 37 8.223 -2.007 -9.599
286 HG13 VAL 37 3HG1 VAL 37 8.896 -0.551 -8.864
287 HG21 VAL 37 3HG2 VAL 37 8.556 -3.023 -6.081
288 HG22 VAL 37 1HG2 VAL 37 9.696 -1.903 -6.828
289 HG23 VAL 37 2HG2 VAL 37 9.121 -3.305 -7.726
290 H VAL 38 H VAL 38 4.786 -0.834 -6.560
291 HA VAL 38 HA VAL 38 4.426 1.430 -8.391
292 HB VAL 38 HB VAL 38 3.468 -0.657 -9.187
293 HG11 VAL 38 1HG1 VAL 38 3.028 -1.760 -7.069
294 HG12 VAL 38 2HG1 VAL 38 1.572 -1.716 -8.063
295 HG13 VAL 38 3HG1 VAL 38 1.751 -0.596 -6.712
296 HG21 VAL 38 3HG2 VAL 38 1.172 0.119 -9.619
297 HG22 VAL 38 1HG2 VAL 38 2.374 1.393 -9.841
298 HG23 VAL 38 2HG2 VAL 38 1.382 1.362 -8.383
299 H ALA 39 H ALA 39 3.319 0.195 -5.259
300 HA ALA 39 HA ALA 39 1.374 2.180 -4.795
301 HB1 ALA 39 3HB ALA 39 1.479 0.081 -3.549
302 HB2 ALA 39 1HB ALA 39 1.446 1.478 -2.480
303 HB3 ALA 39 2HB ALA 39 2.960 0.624 -2.764
304 H ILE 40 H ILE 40 4.790 2.020 -3.778
305 HA ILE 40 HA ILE 40 4.702 4.505 -2.394
306 HB ILE 40 HB ILE 40 7.118 3.059 -3.500
307 HG12 ILE 40 2HG1 ILE 40 5.888 1.645 -1.943
308 HG13 ILE 40 1HG1 ILE 40 7.376 2.204 -1.188
309 HG21 ILE 40 1HG2 ILE 40 7.566 5.409 -3.009
310 HG22 ILE 40 2HG2 ILE 40 8.397 4.351 -1.869
311 HG23 ILE 40 3HG2 ILE 40 6.928 5.197 -1.379
312 HD11 ILE 40 3HD1 ILE 40 4.597 3.250 -0.688
313 HD12 ILE 40 1HD1 ILE 40 6.070 3.939 -0.005
314 HD13 ILE 40 2HD1 ILE 40 5.589 2.293 0.411
315 H ALA 41 H ALA 41 5.709 3.549 -5.647
316 HA ALA 41 HA ALA 41 6.728 6.027 -6.476
317 HB1 ALA 41 3HB ALA 41 7.128 3.926 -7.683
318 HB2 ALA 41 1HB ALA 41 6.505 5.192 -8.742
319 HB3 ALA 41 2HB ALA 41 5.436 3.901 -8.183
320 H SER 42 H SER 42 3.459 4.655 -6.813
321 HA SER 42 HA SER 42 2.420 6.925 -8.179
322 HB2 SER 42 2HB SER 42 0.876 4.818 -6.655
323 HB3 SER 42 1HB SER 42 0.260 5.876 -7.926
324 HG SER 42 HG SER 42 2.090 3.727 -8.137
325 H HIS 43 H HIS 43 3.230 6.434 -4.932
326 HA HIS 43 HA HIS 43 1.256 8.372 -3.979
327 HB2 HIS 43 2HB HIS 43 1.467 6.498 -2.514
328 HB3 HIS 43 1HB HIS 43 3.222 6.585 -2.542
329 HD1 HIS 43 HD1 HIS 43 0.223 8.077 -0.868
330 HD2 HIS 43 HD2 HIS 43 4.348 8.541 -0.844
331 HE1 HIS 43 HE1 HIS 43 0.737 9.431 1.179
332 HE2 HIS 43 HE2 HIS 43 3.250 9.606 1.236
333 H ASP 44 H ASP 44 4.771 7.867 -3.654
334 HA ASP 44 HA ASP 44 5.244 10.547 -2.836
335 HB2 ASP 44 2HB ASP 44 6.710 8.681 -2.189
336 HB3 ASP 44 1HB ASP 44 7.209 8.498 -3.869
337 H GLY 45 H GLY 45 5.196 8.970 -5.959
338 HA2 GLY 45 2HA GLY 45 6.127 11.511 -7.142
339 HA3 GLY 45 1HA GLY 45 6.367 9.940 -7.889
340 H GLY 46 H GLY 46 3.328 10.508 -6.367
341 HA2 GLY 46 2HA GLY 46 2.121 11.357 -8.890
342 HA3 GLY 46 1HA GLY 46 1.631 9.800 -8.249
343 H LYS 47 H LYS 47 0.726 9.799 -6.046
344 HA LYS 47 HA LYS 47 -1.325 11.780 -5.874
345 HB2 LYS 47 2HB LYS 47 -1.260 9.197 -5.219
346 HB3 LYS 47 1HB LYS 47 -0.896 9.876 -3.636
347 HG2 LYS 47 2HG LYS 47 -2.937 11.269 -3.816
348 HG3 LYS 47 1HG LYS 47 -3.309 10.454 -5.334
349 HD2 LYS 47 2HD LYS 47 -4.570 9.294 -3.752
350 HD3 LYS 47 1HD LYS 47 -3.145 8.280 -3.988
351 HE2 LYS 47 2HE LYS 47 -3.713 8.487 -1.623
352 HE3 LYS 47 1HE LYS 47 -2.145 9.213 -1.966
353 HZ1 LYS 47 3HZ LYS 47 -3.237 10.724 -0.581
354 HZ2 LYS 47 1HZ LYS 47 -4.710 10.579 -1.407
355 HZ3 LYS 47 2HZ LYS 47 -3.414 11.383 -2.130
356 H GLN 48 H GLN 48 1.702 12.332 -5.127
357 HA GLN 48 HA GLN 48 1.662 13.153 -2.419
358 HB2 GLN 48 2HB GLN 48 3.428 13.576 -4.753
359 HB3 GLN 48 1HB GLN 48 3.485 14.838 -3.531
360 HG2 GLN 48 2HG GLN 48 3.652 12.052 -2.565
361 HG3 GLN 48 1HG GLN 48 5.033 12.668 -3.473
362 HE21 GLN 48 1HE2 GLN 48 6.409 12.671 -1.730
363 HE22 GLN 48 2HE2 GLN 48 6.256 13.796 -0.422
364 H ALA 49 H ALA 49 0.845 14.734 -5.445
365 HA ALA 49 HA ALA 49 0.319 17.284 -4.256
366 HB1 ALA 49 3HB ALA 49 -0.551 17.900 -6.440
367 HB2 ALA 49 1HB ALA 49 -0.531 16.211 -6.946
368 HB3 ALA 49 2HB ALA 49 0.985 17.049 -6.613
369 H LEU 50 H LEU 50 -1.401 14.345 -4.659
370 HA LEU 50 HA LEU 50 -3.963 15.641 -4.028
371 HB2 LEU 50 2HB LEU 50 -3.308 12.916 -5.146
372 HB3 LEU 50 1HB LEU 50 -4.905 13.335 -4.568
373 HG LEU 50 HG LEU 50 -5.103 13.623 -6.852
374 HD11 LEU 50 1HD1 LEU 50 -5.296 15.980 -7.296
375 HD12 LEU 50 2HD1 LEU 50 -4.236 16.358 -5.939
376 HD13 LEU 50 3HD1 LEU 50 -5.822 15.642 -5.648
377 HD21 LEU 50 3HD2 LEU 50 -3.415 14.683 -8.281
378 HD22 LEU 50 1HD2 LEU 50 -2.784 13.264 -7.444
379 HD23 LEU 50 2HD2 LEU 50 -2.364 14.880 -6.880
380 H GLU 51 H GLU 51 -1.783 15.225 -2.146
381 HA GLU 51 HA GLU 51 -2.889 13.182 -0.361
382 HB2 GLU 51 2HB GLU 51 -0.313 13.586 -1.030
383 HB3 GLU 51 1HB GLU 51 -0.413 14.660 0.359
384 HG2 GLU 51 2HG GLU 51 0.393 12.405 0.932
385 HG3 GLU 51 1HG GLU 51 -1.084 12.851 1.784
Start of MODEL 5
1 H1 GLU 1 1HT GLU 1 -14.032 -4.114 2.825
2 H2 GLU 1 2HT GLU 1 -15.457 -3.740 3.663
3 H3 GLU 1 3HT GLU 1 -14.782 -5.290 3.780
4 HA GLU 1 HA GLU 1 -13.465 -2.814 4.711
5 HB2 GLU 1 2HB GLU 1 -14.149 -4.706 6.788
6 HB3 GLU 1 1HB GLU 1 -14.527 -2.995 6.680
7 HG2 GLU 1 2HG GLU 1 -16.123 -5.091 5.246
8 HG3 GLU 1 1HG GLU 1 -16.474 -4.595 6.898
9 H GLN 2 H GLN 2 -11.852 -3.989 3.232
10 HA GLN 2 HA GLN 2 -10.643 -6.391 4.200
11 HB2 GLN 2 2HB GLN 2 -10.584 -4.990 1.836
12 HB3 GLN 2 1HB GLN 2 -8.993 -4.662 2.504
13 HG2 GLN 2 2HG GLN 2 -8.869 -7.216 2.859
14 HG3 GLN 2 1HG GLN 2 -10.194 -7.272 1.697
15 HE21 GLN 2 1HE2 GLN 2 -9.819 -6.572 -0.427
16 HE22 GLN 2 2HE2 GLN 2 -8.217 -6.455 -1.071
17 H VAL 3 H VAL 3 -8.458 -6.591 4.990
18 HA VAL 3 HA VAL 3 -7.886 -4.956 7.182
19 HB VAL 3 HB VAL 3 -5.590 -6.053 7.119
20 HG11 VAL 3 1HG1 VAL 3 -6.488 -8.252 7.769
21 HG12 VAL 3 2HG1 VAL 3 -8.058 -7.788 7.112
22 HG13 VAL 3 3HG1 VAL 3 -7.384 -6.915 8.489
23 HG21 VAL 3 3HG2 VAL 3 -5.370 -8.010 5.631
24 HG22 VAL 3 1HG2 VAL 3 -5.432 -6.489 4.740
25 HG23 VAL 3 2HG2 VAL 3 -6.854 -7.527 4.808
26 H VAL 4 H VAL 4 -6.896 -4.673 3.853
27 HA VAL 4 HA VAL 4 -4.790 -2.789 4.375
28 HB VAL 4 HB VAL 4 -4.636 -2.499 1.977
29 HG11 VAL 4 1HG1 VAL 4 -4.273 -4.848 1.282
30 HG12 VAL 4 2HG1 VAL 4 -5.075 -5.375 2.761
31 HG13 VAL 4 3HG1 VAL 4 -3.566 -4.469 2.851
32 HG21 VAL 4 3HG2 VAL 4 -7.105 -4.210 1.737
33 HG22 VAL 4 1HG2 VAL 4 -6.171 -3.513 0.415
34 HG23 VAL 4 2HG2 VAL 4 -7.065 -2.461 1.514
35 H ALA 5 H ALA 5 -8.160 -2.589 4.260
36 HA ALA 5 HA ALA 5 -8.119 0.242 3.500
37 HB1 ALA 5 3HB ALA 5 -10.531 0.051 3.244
38 HB2 ALA 5 1HB ALA 5 -10.474 -1.610 3.832
39 HB3 ALA 5 2HB ALA 5 -9.703 -1.191 2.303
40 H ILE 6 H ILE 6 -9.160 -1.925 6.118
41 HA ILE 6 HA ILE 6 -10.264 0.145 7.716
42 HB ILE 6 HB ILE 6 -10.126 -1.469 9.603
43 HG12 ILE 6 2HG1 ILE 6 -9.075 -3.461 7.606
44 HG13 ILE 6 1HG1 ILE 6 -7.999 -2.563 8.671
45 HG21 ILE 6 1HG2 ILE 6 -11.713 -3.077 8.659
46 HG22 ILE 6 2HG2 ILE 6 -11.253 -2.572 7.033
47 HG23 ILE 6 3HG2 ILE 6 -12.054 -1.434 8.116
48 HD11 ILE 6 3HD1 ILE 6 -8.480 -4.756 9.566
49 HD12 ILE 6 1HD1 ILE 6 -10.209 -4.416 9.524
50 HD13 ILE 6 2HD1 ILE 6 -9.157 -3.506 10.608
51 H ALA 7 H ALA 7 -7.033 -1.262 7.506
52 HA ALA 7 HA ALA 7 -6.003 0.042 9.811
53 HB1 ALA 7 3HB ALA 7 -3.812 -0.613 8.976
54 HB2 ALA 7 1HB ALA 7 -4.515 -1.021 7.409
55 HB3 ALA 7 2HB ALA 7 -4.952 -1.952 8.841
56 H SER 8 H SER 8 -6.057 0.841 6.374
57 HA SER 8 HA SER 8 -4.451 3.171 6.612
58 HB2 SER 8 2HB SER 8 -5.536 3.665 4.313
59 HB3 SER 8 1HB SER 8 -4.489 2.250 4.461
60 HG SER 8 HG SER 8 -6.130 1.081 3.905
61 H ASN 9 H ASN 9 -7.870 2.513 6.890
62 HA ASN 9 HA ASN 9 -8.765 5.192 6.669
63 HB2 ASN 9 2HB ASN 9 -9.949 2.648 7.103
64 HB3 ASN 9 1HB ASN 9 -10.490 3.709 8.402
65 HD21 ASN 9 1HD2 ASN 9 -12.577 3.863 7.672
66 HD22 ASN 9 2HD2 ASN 9 -13.007 4.711 6.228
67 H ILE 10 H ILE 10 -7.293 3.395 9.214
68 HA ILE 10 HA ILE 10 -8.045 5.376 11.220
69 HB ILE 10 HB ILE 10 -6.239 2.985 11.609
70 HG12 ILE 10 2HG1 ILE 10 -8.392 2.187 10.789
71 HG13 ILE 10 1HG1 ILE 10 -8.214 1.807 12.498
72 HG21 ILE 10 1HG2 ILE 10 -7.828 4.645 13.558
73 HG22 ILE 10 2HG2 ILE 10 -6.080 4.672 13.345
74 HG23 ILE 10 3HG2 ILE 10 -6.867 3.224 13.965
75 HD11 ILE 10 3HD1 ILE 10 -9.844 4.052 11.329
76 HD12 ILE 10 1HD1 ILE 10 -9.629 3.734 13.051
77 HD13 ILE 10 2HD1 ILE 10 -10.457 2.556 12.033
78 H GLY 11 H GLY 11 -5.261 4.252 9.385
79 HA2 GLY 11 2HA GLY 11 -3.373 5.923 10.764
80 HA3 GLY 11 1HA GLY 11 -3.082 5.019 9.287
81 H GLY 12 H GLY 12 -5.242 6.185 7.791
82 HA2 GLY 12 2HA GLY 12 -5.921 8.231 6.843
83 HA3 GLY 12 1HA GLY 12 -4.636 9.042 7.724
84 H LYS 13 H LYS 13 -3.438 6.259 6.315
85 HA LYS 13 HA LYS 13 -2.684 7.654 3.840
86 HB2 LYS 13 2HB LYS 13 -0.694 6.007 5.388
87 HB3 LYS 13 1HB LYS 13 -0.391 7.166 4.101
88 HG2 LYS 13 2HG LYS 13 -0.924 9.005 5.551
89 HG3 LYS 13 1HG LYS 13 -1.430 7.907 6.832
90 HD2 LYS 13 2HD LYS 13 1.358 8.193 5.725
91 HD3 LYS 13 1HD LYS 13 0.784 8.796 7.277
92 HE2 LYS 13 2HE LYS 13 1.056 5.921 6.415
93 HE3 LYS 13 1HE LYS 13 1.994 6.762 7.646
94 HZ1 LYS 13 3HZ LYS 13 0.479 5.646 8.911
95 HZ2 LYS 13 1HZ LYS 13 -0.768 5.761 7.770
96 HZ3 LYS 13 2HZ LYS 13 -0.339 7.109 8.710
97 H GLN 14 H GLN 14 -3.979 6.387 2.562
98 HA GLN 14 HA GLN 14 -4.343 3.621 2.813
99 HB2 GLN 14 2HB GLN 14 -4.925 5.657 0.758
100 HB3 GLN 14 1HB GLN 14 -4.840 3.999 0.185
101 HG2 GLN 14 2HG GLN 14 -7.110 4.490 0.700
102 HG3 GLN 14 1HG GLN 14 -6.501 3.373 1.920
103 HE21 GLN 14 1HE2 GLN 14 -7.964 3.930 3.475
104 HE22 GLN 14 2HE2 GLN 14 -7.969 5.468 4.263
105 H ALA 15 H ALA 15 -2.192 5.398 0.621
106 HA ALA 15 HA ALA 15 -1.143 3.038 -0.582
107 HB1 ALA 15 3HB ALA 15 0.021 5.813 -0.604
108 HB2 ALA 15 1HB ALA 15 -1.213 5.219 -1.716
109 HB3 ALA 15 2HB ALA 15 0.396 4.497 -1.717
110 H LEU 16 H LEU 16 -0.250 4.901 2.220
111 HA LEU 16 HA LEU 16 2.367 3.655 2.349
112 HB2 LEU 16 2HB LEU 16 0.981 5.630 4.149
113 HB3 LEU 16 1HB LEU 16 2.578 4.980 4.475
114 HG LEU 16 HG LEU 16 1.820 6.580 2.027
115 HD11 LEU 16 1HD1 LEU 16 3.286 7.335 4.539
116 HD12 LEU 16 2HD1 LEU 16 1.815 8.051 3.880
117 HD13 LEU 16 3HD1 LEU 16 3.352 8.274 3.048
118 HD21 LEU 16 3HD2 LEU 16 4.244 6.639 1.623
119 HD22 LEU 16 1HD2 LEU 16 3.588 5.005 1.541
120 HD23 LEU 16 2HD2 LEU 16 4.480 5.525 2.968
121 H GLU 17 H GLU 17 -0.785 3.033 3.530
122 HA GLU 17 HA GLU 17 0.186 1.359 5.700
123 HB2 GLU 17 2HB GLU 17 -2.385 2.526 4.938
124 HB3 GLU 17 1HB GLU 17 -2.519 0.862 5.487
125 HG2 GLU 17 2HG GLU 17 -2.847 2.257 7.374
126 HG3 GLU 17 1HG GLU 17 -1.254 1.524 7.537
127 H THR 18 H THR 18 -1.175 1.039 2.472
128 HA THR 18 HA THR 18 -1.701 -1.728 2.577
129 HB THR 18 HB THR 18 -2.636 -0.280 0.815
130 HG1 THR 18 HG1 THR 18 -1.079 -2.165 -0.598
131 HG21 THR 18 3HG2 THR 18 0.144 -0.292 -0.360
132 HG22 THR 18 1HG2 THR 18 -0.634 1.097 0.400
133 HG23 THR 18 2HG2 THR 18 -1.299 0.418 -1.086
134 H VAL 19 H VAL 19 1.244 0.077 1.884
135 HA VAL 19 HA VAL 19 2.712 -2.068 0.784
136 HB VAL 19 HB VAL 19 3.339 0.363 0.617
137 HG11 VAL 19 1HG1 VAL 19 4.821 1.224 2.447
138 HG12 VAL 19 2HG1 VAL 19 4.245 -0.109 3.448
139 HG13 VAL 19 3HG1 VAL 19 3.112 1.108 2.863
140 HG21 VAL 19 3HG2 VAL 19 4.877 -1.387 -0.079
141 HG22 VAL 19 1HG2 VAL 19 5.475 -1.542 1.571
142 HG23 VAL 19 2HG2 VAL 19 5.760 -0.055 0.666
143 H GLN 20 H GLN 20 1.967 -1.183 4.062
144 HA GLN 20 HA GLN 20 3.952 -3.050 5.109
145 HB2 GLN 20 2HB GLN 20 2.303 -0.860 6.242
146 HB3 GLN 20 1HB GLN 20 2.678 -2.202 7.317
147 HG2 GLN 20 2HG GLN 20 4.765 -0.692 5.767
148 HG3 GLN 20 1HG GLN 20 4.267 -0.269 7.405
149 HE21 GLN 20 1HE2 GLN 20 6.837 -1.264 6.248
150 HE22 GLN 20 2HE2 GLN 20 7.253 -2.634 7.219
151 H ARG 21 H ARG 21 0.556 -2.784 4.519
152 HA ARG 21 HA ARG 21 -0.205 -4.964 6.223
153 HB2 ARG 21 2HB ARG 21 -1.703 -3.054 5.514
154 HB3 ARG 21 1HB ARG 21 -1.774 -3.798 3.922
155 HG2 ARG 21 2HG ARG 21 -3.717 -4.494 5.023
156 HG3 ARG 21 1HG ARG 21 -2.626 -5.880 5.094
157 HD2 ARG 21 2HD ARG 21 -2.165 -4.217 7.364
158 HD3 ARG 21 1HD ARG 21 -3.895 -4.527 7.230
159 HE ARG 21 HE ARG 21 -2.579 -6.958 6.877
160 HH11 ARG 21 1HH1 ARG 21 -3.021 -4.567 9.396
161 HH12 ARG 21 2HH1 ARG 21 -2.868 -5.714 10.687
162 HH21 ARG 21 1HH2 ARG 21 -2.391 -8.469 8.574
163 HH22 ARG 21 2HH2 ARG 21 -2.514 -7.932 10.222
164 H LEU 22 H LEU 22 0.259 -4.531 2.729
165 HA LEU 22 HA LEU 22 -0.204 -7.364 2.267
166 HB2 LEU 22 2HB LEU 22 0.299 -5.017 0.461
167 HB3 LEU 22 1HB LEU 22 0.309 -6.662 -0.142
168 HG LEU 22 HG LEU 22 -2.028 -5.300 1.192
169 HD11 LEU 22 1HD1 LEU 22 -1.548 -6.037 -1.691
170 HD12 LEU 22 2HD1 LEU 22 -1.563 -4.406 -1.021
171 HD13 LEU 22 3HD1 LEU 22 -3.040 -5.368 -1.031
172 HD21 LEU 22 3HD2 LEU 22 -1.728 -8.049 -0.013
173 HD22 LEU 22 1HD2 LEU 22 -3.278 -7.301 0.376
174 HD23 LEU 22 2HD2 LEU 22 -2.120 -7.645 1.658
175 H LEU 23 H LEU 23 2.341 -5.644 3.332
176 HA LEU 23 HA LEU 23 4.501 -6.395 1.752
177 HB2 LEU 23 2HB LEU 23 4.728 -4.735 3.491
178 HB3 LEU 23 1HB LEU 23 4.394 -5.927 4.730
179 HG LEU 23 HG LEU 23 6.510 -7.109 4.013
180 HD11 LEU 23 1HD1 LEU 23 8.125 -5.900 2.711
181 HD12 LEU 23 2HD1 LEU 23 7.042 -4.515 2.575
182 HD13 LEU 23 3HD1 LEU 23 6.635 -6.036 1.782
183 HD21 LEU 23 3HD2 LEU 23 6.756 -4.286 5.048
184 HD22 LEU 23 1HD2 LEU 23 7.967 -5.557 5.220
185 HD23 LEU 23 2HD2 LEU 23 6.400 -5.718 6.014
186 HA PRO 24 HA PRO 24 5.224 -10.316 4.532
187 HB2 PRO 24 2HB PRO 24 3.005 -11.224 5.885
188 HB3 PRO 24 1HB PRO 24 4.283 -10.244 6.614
189 HG2 PRO 24 2HG PRO 24 1.618 -9.400 5.545
190 HG3 PRO 24 1HG PRO 24 2.448 -8.877 7.023
191 HD2 PRO 24 2HD PRO 24 2.426 -7.353 4.821
192 HD3 PRO 24 1HD PRO 24 3.857 -7.440 5.870
193 H VAL 25 H VAL 25 1.987 -9.769 3.265
194 HA VAL 25 HA VAL 25 1.465 -12.407 2.413
195 HB VAL 25 HB VAL 25 0.346 -9.872 1.212
196 HG11 VAL 25 1HG1 VAL 25 -1.604 -11.273 0.704
197 HG12 VAL 25 2HG1 VAL 25 -0.765 -12.675 1.371
198 HG13 VAL 25 3HG1 VAL 25 -0.143 -11.878 -0.074
199 HG21 VAL 25 3HG2 VAL 25 0.111 -9.840 3.650
200 HG22 VAL 25 1HG2 VAL 25 -0.663 -11.424 3.597
201 HG23 VAL 25 2HG2 VAL 25 -1.450 -10.031 2.856
202 H LEU 26 H LEU 26 2.464 -9.539 0.541
203 HA LEU 26 HA LEU 26 2.799 -10.995 -1.868
204 HB2 LEU 26 2HB LEU 26 3.364 -8.236 -0.955
205 HB3 LEU 26 1HB LEU 26 4.257 -8.809 -2.350
206 HG LEU 26 HG LEU 26 2.254 -7.579 -3.024
207 HD11 LEU 26 1HD1 LEU 26 1.432 -9.119 -4.627
208 HD12 LEU 26 2HD1 LEU 26 1.848 -10.499 -3.613
209 HD13 LEU 26 3HD1 LEU 26 3.125 -9.532 -4.350
210 HD21 LEU 26 3HD2 LEU 26 0.972 -8.330 -0.922
211 HD22 LEU 26 1HD2 LEU 26 0.556 -9.757 -1.869
212 HD23 LEU 26 2HD2 LEU 26 0.081 -8.155 -2.434
213 H CYS 27 H CYS 27 5.073 -10.077 0.692
214 HA CYS 27 HA CYS 27 7.394 -10.783 -0.781
215 HB2 CYS 27 2HB CYS 27 8.614 -10.540 1.245
216 HB3 CYS 27 1HB CYS 27 7.341 -9.328 1.280
217 HG CYS 27 HG CYS 27 5.971 -11.803 2.737
218 H GLN 28 H GLN 28 5.072 -12.643 0.967
219 HA GLN 28 HA GLN 28 6.813 -14.977 1.094
220 HB2 GLN 28 2HB GLN 28 5.390 -14.490 3.016
221 HB3 GLN 28 1HB GLN 28 3.959 -14.564 1.999
222 HG2 GLN 28 2HG GLN 28 4.314 -16.923 1.606
223 HG3 GLN 28 1HG GLN 28 5.817 -16.868 2.527
224 HE21 GLN 28 1HE2 GLN 28 3.368 -18.432 2.941
225 HE22 GLN 28 2HE2 GLN 28 2.850 -18.064 4.549
226 H ALA 29 H ALA 29 3.803 -13.949 -0.461
227 HA ALA 29 HA ALA 29 3.366 -16.379 -1.845
228 HB1 ALA 29 3HB ALA 29 1.677 -15.169 -3.088
229 HB2 ALA 29 1HB ALA 29 2.321 -13.634 -2.503
230 HB3 ALA 29 2HB ALA 29 1.586 -14.769 -1.373
231 H HIS 30 H HIS 30 5.105 -13.430 -2.724
232 HA HIS 30 HA HIS 30 6.047 -14.857 -5.119
233 HB2 HIS 30 2HB HIS 30 4.903 -12.085 -4.983
234 HB3 HIS 30 1HB HIS 30 6.084 -12.500 -6.220
235 HD1 HIS 30 HD1 HIS 30 5.234 -13.707 -8.254
236 HD2 HIS 30 HD2 HIS 30 2.459 -13.619 -5.159
237 HE1 HIS 30 HE1 HIS 30 3.112 -14.643 -9.218
238 HE2 HIS 30 HE2 HIS 30 1.418 -14.471 -7.365
239 H GLY 31 H GLY 31 6.620 -12.162 -2.884
240 HA2 GLY 31 2HA GLY 31 8.741 -11.937 -1.781
241 HA3 GLY 31 1HA GLY 31 9.503 -12.684 -3.177
242 H LEU 32 H LEU 32 8.132 -11.153 -5.138
243 HA LEU 32 HA LEU 32 9.873 -9.032 -5.521
244 HB2 LEU 32 2HB LEU 32 7.069 -9.196 -6.611
245 HB3 LEU 32 1HB LEU 32 8.426 -8.337 -7.312
246 HG LEU 32 HG LEU 32 8.339 -11.334 -7.017
247 HD11 LEU 32 1HD1 LEU 32 6.521 -10.616 -8.461
248 HD12 LEU 32 2HD1 LEU 32 7.794 -11.394 -9.399
249 HD13 LEU 32 3HD1 LEU 32 7.641 -9.638 -9.409
250 HD21 LEU 32 3HD2 LEU 32 10.084 -9.499 -8.652
251 HD22 LEU 32 1HD2 LEU 32 10.129 -11.261 -8.680
252 HD23 LEU 32 2HD2 LEU 32 10.570 -10.393 -7.211
253 H THR 33 H THR 33 6.497 -8.916 -4.410
254 HA THR 33 HA THR 33 5.341 -7.412 -3.168
255 HB THR 33 HB THR 33 7.965 -6.138 -2.398
256 HG1 THR 33 HG1 THR 33 8.339 -8.223 -1.877
257 HG21 THR 33 3HG2 THR 33 6.813 -5.602 -0.338
258 HG22 THR 33 1HG2 THR 33 5.391 -6.505 -0.857
259 HG23 THR 33 2HG2 THR 33 5.853 -5.027 -1.701
260 HA PRO 34 HA PRO 34 5.732 -4.395 -6.660
261 HB2 PRO 34 2HB PRO 34 3.066 -4.312 -7.186
262 HB3 PRO 34 1HB PRO 34 4.155 -5.525 -7.871
263 HG2 PRO 34 2HG PRO 34 2.318 -5.748 -5.517
264 HG3 PRO 34 1HG PRO 34 2.605 -6.909 -6.827
265 HD2 PRO 34 2HD PRO 34 3.747 -7.174 -4.401
266 HD3 PRO 34 1HD PRO 34 4.571 -7.672 -5.891
267 H GLU 35 H GLU 35 4.103 -4.423 -3.645
268 HA GLU 35 HA GLU 35 2.794 -1.954 -3.693
269 HB2 GLU 35 2HB GLU 35 4.091 -3.337 -1.338
270 HB3 GLU 35 1HB GLU 35 2.921 -2.028 -1.239
271 HG2 GLU 35 2HG GLU 35 2.415 -4.761 -2.399
272 HG3 GLU 35 1HG GLU 35 1.891 -4.197 -0.815
273 H GLN 36 H GLN 36 6.144 -2.774 -2.898
274 HA GLN 36 HA GLN 36 6.806 -0.033 -2.259
275 HB2 GLN 36 2HB GLN 36 9.108 -0.892 -2.008
276 HB3 GLN 36 1HB GLN 36 7.947 -1.836 -1.081
277 HG2 GLN 36 2HG GLN 36 8.033 -3.628 -2.603
278 HG3 GLN 36 1HG GLN 36 8.857 -2.656 -3.821
279 HE21 GLN 36 1HE2 GLN 36 10.498 -4.173 -3.988
280 HE22 GLN 36 2HE2 GLN 36 11.708 -4.361 -2.769
281 H VAL 37 H VAL 37 6.289 -1.651 -5.085
282 HA VAL 37 HA VAL 37 8.390 -0.252 -6.562
283 HB VAL 37 HB VAL 37 6.463 -2.352 -7.564
284 HG11 VAL 37 1HG1 VAL 37 8.990 -1.286 -8.825
285 HG12 VAL 37 2HG1 VAL 37 7.354 -0.829 -9.301
286 HG13 VAL 37 3HG1 VAL 37 7.902 -2.494 -9.503
287 HG21 VAL 37 3HG2 VAL 37 7.946 -3.270 -5.863
288 HG22 VAL 37 1HG2 VAL 37 9.347 -2.614 -6.713
289 HG23 VAL 37 2HG2 VAL 37 8.379 -3.886 -7.459
290 H VAL 38 H VAL 38 4.853 -0.810 -6.825
291 HA VAL 38 HA VAL 38 4.755 1.679 -8.389
292 HB VAL 38 HB VAL 38 4.078 -0.316 -9.639
293 HG11 VAL 38 1HG1 VAL 38 3.157 -1.682 -7.884
294 HG12 VAL 38 2HG1 VAL 38 1.932 -1.414 -9.124
295 HG13 VAL 38 3HG1 VAL 38 1.864 -0.516 -7.608
296 HG21 VAL 38 3HG2 VAL 38 1.901 0.565 -10.459
297 HG22 VAL 38 1HG2 VAL 38 3.166 1.789 -10.326
298 HG23 VAL 38 2HG2 VAL 38 1.898 1.694 -9.105
299 H ALA 39 H ALA 39 3.168 -0.025 -5.701
300 HA ALA 39 HA ALA 39 1.031 1.754 -5.355
301 HB1 ALA 39 3HB ALA 39 1.226 -0.451 -4.242
302 HB2 ALA 39 1HB ALA 39 0.788 0.854 -3.142
303 HB3 ALA 39 2HB ALA 39 2.441 0.236 -3.163
304 H ILE 40 H ILE 40 4.137 1.684 -3.602
305 HA ILE 40 HA ILE 40 3.752 4.139 -2.276
306 HB ILE 40 HB ILE 40 6.310 2.692 -2.986
307 HG12 ILE 40 2HG1 ILE 40 4.811 1.469 -1.477
308 HG13 ILE 40 1HG1 ILE 40 6.267 1.993 -0.638
309 HG21 ILE 40 1HG2 ILE 40 5.930 5.000 -1.079
310 HG22 ILE 40 2HG2 ILE 40 6.760 5.078 -2.633
311 HG23 ILE 40 3HG2 ILE 40 7.422 4.095 -1.326
312 HD11 ILE 40 3HD1 ILE 40 4.381 2.319 0.786
313 HD12 ILE 40 1HD1 ILE 40 3.532 3.229 -0.464
314 HD13 ILE 40 2HD1 ILE 40 4.984 3.896 0.283
315 H ALA 41 H ALA 41 5.129 3.314 -5.392
316 HA ALA 41 HA ALA 41 6.309 5.770 -6.032
317 HB1 ALA 41 3HB ALA 41 5.065 3.850 -7.983
318 HB2 ALA 41 1HB ALA 41 6.649 3.622 -7.240
319 HB3 ALA 41 2HB ALA 41 6.359 5.010 -8.286
320 H SER 42 H SER 42 2.998 4.618 -6.437
321 HA SER 42 HA SER 42 2.084 6.768 -8.016
322 HB2 SER 42 2HB SER 42 0.502 5.042 -6.095
323 HB3 SER 42 1HB SER 42 -0.161 6.019 -7.407
324 HG SER 42 HG SER 42 1.462 3.699 -7.577
325 H HIS 43 H HIS 43 2.338 6.307 -4.534
326 HA HIS 43 HA HIS 43 0.961 8.757 -3.921
327 HB2 HIS 43 2HB HIS 43 0.769 7.145 -2.219
328 HB3 HIS 43 1HB HIS 43 2.476 6.732 -2.293
329 HD1 HIS 43 HD1 HIS 43 0.223 9.570 -1.109
330 HD2 HIS 43 HD2 HIS 43 4.033 8.009 -0.456
331 HE1 HIS 43 HE1 HIS 43 1.182 10.869 0.811
332 HE2 HIS 43 HE2 HIS 43 3.553 10.062 1.033
333 H ASP 44 H ASP 44 4.300 7.654 -4.093
334 HA ASP 44 HA ASP 44 5.529 9.989 -3.108
335 HB2 ASP 44 2HB ASP 44 6.587 7.694 -3.446
336 HB3 ASP 44 1HB ASP 44 6.737 8.118 -5.147
337 H GLY 45 H GLY 45 5.360 8.881 -6.497
338 HA2 GLY 45 2HA GLY 45 5.664 11.694 -7.321
339 HA3 GLY 45 1HA GLY 45 6.138 10.307 -8.287
340 H GLY 46 H GLY 46 3.372 12.068 -6.995
341 HA2 GLY 46 2HA GLY 46 1.865 12.304 -9.187
342 HA3 GLY 46 1HA GLY 46 1.552 10.633 -8.748
343 H LYS 47 H LYS 47 0.857 10.308 -6.430
344 HA LYS 47 HA LYS 47 -1.442 11.930 -5.981
345 HB2 LYS 47 2HB LYS 47 -0.972 9.398 -5.447
346 HB3 LYS 47 1HB LYS 47 -0.404 10.044 -3.917
347 HG2 LYS 47 2HG LYS 47 -2.671 9.416 -3.626
348 HG3 LYS 47 1HG LYS 47 -2.601 11.176 -3.653
349 HD2 LYS 47 2HD LYS 47 -3.169 11.021 -6.121
350 HD3 LYS 47 1HD LYS 47 -3.540 9.322 -5.822
351 HE2 LYS 47 2HE LYS 47 -5.174 10.002 -4.111
352 HE3 LYS 47 1HE LYS 47 -4.825 11.692 -4.468
353 HZ1 LYS 47 3HZ LYS 47 -6.804 10.980 -5.606
354 HZ2 LYS 47 1HZ LYS 47 -5.972 9.713 -6.349
355 HZ3 LYS 47 2HZ LYS 47 -5.596 11.312 -6.739
356 H GLN 48 H GLN 48 1.801 12.136 -4.897
357 HA GLN 48 HA GLN 48 1.407 13.364 -2.389
358 HB2 GLN 48 2HB GLN 48 3.587 12.455 -3.664
359 HB3 GLN 48 1HB GLN 48 3.757 14.171 -4.009
360 HG2 GLN 48 2HG GLN 48 3.424 14.514 -1.488
361 HG3 GLN 48 1HG GLN 48 3.757 12.789 -1.355
362 HE21 GLN 48 1HE2 GLN 48 5.623 12.853 -3.623
363 HE22 GLN 48 2HE2 GLN 48 7.068 13.584 -3.010
364 H ALA 49 H ALA 49 1.002 14.522 -5.586
365 HA ALA 49 HA ALA 49 1.156 17.320 -4.785
366 HB1 ALA 49 3HB ALA 49 0.774 17.816 -7.141
367 HB2 ALA 49 1HB ALA 49 0.486 16.107 -7.467
368 HB3 ALA 49 2HB ALA 49 2.085 16.649 -6.958
369 H LEU 50 H LEU 50 -1.046 14.918 -4.533
370 HA LEU 50 HA LEU 50 -3.360 16.709 -4.897
371 HB2 LEU 50 2HB LEU 50 -2.967 13.790 -5.289
372 HB3 LEU 50 1HB LEU 50 -4.520 14.306 -4.661
373 HG LEU 50 HG LEU 50 -4.645 14.036 -7.062
374 HD11 LEU 50 1HD1 LEU 50 -4.628 16.994 -6.572
375 HD12 LEU 50 2HD1 LEU 50 -5.841 15.935 -5.856
376 HD13 LEU 50 3HD1 LEU 50 -5.695 16.051 -7.611
377 HD21 LEU 50 3HD2 LEU 50 -3.341 15.439 -8.587
378 HD22 LEU 50 1HD2 LEU 50 -2.302 14.382 -7.629
379 HD23 LEU 50 2HD2 LEU 50 -2.443 16.092 -7.218
380 H GLU 51 H GLU 51 -1.739 14.466 -2.749
381 HA GLU 51 HA GLU 51 -3.716 14.751 -0.664
382 HB2 GLU 51 2HB GLU 51 -1.003 13.412 -0.644
383 HB3 GLU 51 1HB GLU 51 -2.179 13.334 0.660
384 HG2 GLU 51 2HG GLU 51 -3.769 12.266 -0.907
385 HG3 GLU 51 1HG GLU 51 -2.492 12.243 -2.120
Start of MODEL 6
1 H1 GLU 1 1HT GLU 1 -14.438 -5.661 1.072
2 H2 GLU 1 2HT GLU 1 -15.474 -4.348 1.286
3 H3 GLU 1 3HT GLU 1 -15.337 -5.521 2.503
4 HA GLU 1 HA GLU 1 -13.296 -3.571 1.631
5 HB2 GLU 1 2HB GLU 1 -13.442 -2.698 3.868
6 HB3 GLU 1 1HB GLU 1 -15.069 -2.777 3.204
7 HG2 GLU 1 2HG GLU 1 -13.972 -4.963 4.948
8 HG3 GLU 1 1HG GLU 1 -14.709 -3.513 5.625
9 H GLN 2 H GLN 2 -11.234 -3.790 2.437
10 HA GLN 2 HA GLN 2 -10.603 -6.423 3.598
11 HB2 GLN 2 2HB GLN 2 -9.812 -6.034 1.235
12 HB3 GLN 2 1HB GLN 2 -8.794 -4.741 1.853
13 HG2 GLN 2 2HG GLN 2 -7.517 -6.290 3.161
14 HG3 GLN 2 1HG GLN 2 -8.622 -7.603 2.759
15 HE21 GLN 2 1HE2 GLN 2 -7.653 -5.247 0.385
16 HE22 GLN 2 2HE2 GLN 2 -6.659 -6.313 -0.545
17 H VAL 3 H VAL 3 -8.699 -6.444 5.033
18 HA VAL 3 HA VAL 3 -8.841 -4.546 7.047
19 HB VAL 3 HB VAL 3 -6.601 -5.443 7.802
20 HG11 VAL 3 1HG1 VAL 3 -8.778 -7.431 7.171
21 HG12 VAL 3 2HG1 VAL 3 -8.709 -6.376 8.582
22 HG13 VAL 3 3HG1 VAL 3 -7.504 -7.647 8.372
23 HG21 VAL 3 3HG2 VAL 3 -5.788 -7.473 6.649
24 HG22 VAL 3 1HG2 VAL 3 -5.653 -6.026 5.650
25 HG23 VAL 3 2HG2 VAL 3 -6.955 -7.179 5.358
26 H VAL 4 H VAL 4 -6.823 -4.567 4.188
27 HA VAL 4 HA VAL 4 -5.099 -2.453 5.043
28 HB VAL 4 HB VAL 4 -4.270 -2.415 2.757
29 HG11 VAL 4 1HG1 VAL 4 -4.739 -5.252 3.671
30 HG12 VAL 4 2HG1 VAL 4 -3.495 -4.177 4.306
31 HG13 VAL 4 3HG1 VAL 4 -3.441 -4.688 2.620
32 HG21 VAL 4 3HG2 VAL 4 -6.507 -4.342 2.135
33 HG22 VAL 4 1HG2 VAL 4 -5.211 -3.880 1.032
34 HG23 VAL 4 2HG2 VAL 4 -6.385 -2.676 1.569
35 H ALA 5 H ALA 5 -8.287 -2.426 4.292
36 HA ALA 5 HA ALA 5 -8.180 0.318 3.224
37 HB1 ALA 5 3HB ALA 5 -9.246 -1.283 1.686
38 HB2 ALA 5 1HB ALA 5 -10.383 -0.063 2.264
39 HB3 ALA 5 2HB ALA 5 -10.417 -1.692 2.943
40 H ILE 6 H ILE 6 -8.363 -1.209 5.979
41 HA ILE 6 HA ILE 6 -10.437 0.550 7.110
42 HB ILE 6 HB ILE 6 -9.505 -2.100 8.239
43 HG12 ILE 6 2HG1 ILE 6 -12.147 -1.416 6.931
44 HG13 ILE 6 1HG1 ILE 6 -10.848 -2.299 6.136
45 HG21 ILE 6 1HG2 ILE 6 -11.369 -1.831 9.802
46 HG22 ILE 6 2HG2 ILE 6 -11.732 -0.257 9.099
47 HG23 ILE 6 3HG2 ILE 6 -10.208 -0.510 9.949
48 HD11 ILE 6 3HD1 ILE 6 -11.045 -4.052 7.873
49 HD12 ILE 6 1HD1 ILE 6 -12.507 -3.844 6.909
50 HD13 ILE 6 2HD1 ILE 6 -12.426 -3.183 8.540
51 H ALA 7 H ALA 7 -7.539 -1.266 8.150
52 HA ALA 7 HA ALA 7 -6.906 0.439 10.294
53 HB1 ALA 7 3HB ALA 7 -5.031 -1.305 8.698
54 HB2 ALA 7 1HB ALA 7 -6.034 -1.849 10.042
55 HB3 ALA 7 2HB ALA 7 -4.750 -0.674 10.320
56 H SER 8 H SER 8 -5.534 0.251 7.030
57 HA SER 8 HA SER 8 -3.784 2.406 7.217
58 HB2 SER 8 2HB SER 8 -5.187 1.732 4.653
59 HB3 SER 8 1HB SER 8 -3.490 2.136 4.920
60 HG SER 8 HG SER 8 -3.467 0.058 6.173
61 H ASN 9 H ASN 9 -7.206 2.277 6.506
62 HA ASN 9 HA ASN 9 -7.507 4.898 5.499
63 HB2 ASN 9 2HB ASN 9 -9.159 2.974 5.324
64 HB3 ASN 9 1HB ASN 9 -9.622 3.339 6.984
65 HD21 ASN 9 1HD2 ASN 9 -10.718 5.293 7.417
66 HD22 ASN 9 2HD2 ASN 9 -11.475 6.199 6.154
67 H ILE 10 H ILE 10 -7.970 3.537 8.755
68 HA ILE 10 HA ILE 10 -8.688 6.033 9.943
69 HB ILE 10 HB ILE 10 -7.598 3.621 11.401
70 HG12 ILE 10 2HG1 ILE 10 -9.424 2.884 9.948
71 HG13 ILE 10 1HG1 ILE 10 -9.938 2.865 11.631
72 HG21 ILE 10 1HG2 ILE 10 -9.462 5.832 12.267
73 HG22 ILE 10 2HG2 ILE 10 -7.775 5.643 12.749
74 HG23 ILE 10 3HG2 ILE 10 -8.976 4.453 13.256
75 HD11 ILE 10 3HD1 ILE 10 -11.691 3.718 10.201
76 HD12 ILE 10 1HD1 ILE 10 -10.614 4.976 9.593
77 HD13 ILE 10 2HD1 ILE 10 -11.114 4.982 11.286
78 H GLY 11 H GLY 11 -5.679 4.461 9.232
79 HA2 GLY 11 2HA GLY 11 -4.102 6.010 11.068
80 HA3 GLY 11 1HA GLY 11 -3.493 4.981 9.783
81 H GLY 12 H GLY 12 -5.587 6.748 8.142
82 HA2 GLY 12 2HA GLY 12 -5.542 8.809 7.039
83 HA3 GLY 12 1HA GLY 12 -4.102 9.241 7.957
84 H LYS 13 H LYS 13 -2.362 7.323 7.433
85 HA LYS 13 HA LYS 13 -1.608 7.826 4.697
86 HB2 LYS 13 2HB LYS 13 0.151 5.930 5.726
87 HB3 LYS 13 1HB LYS 13 0.400 7.669 5.695
88 HG2 LYS 13 2HG LYS 13 -0.373 7.902 7.925
89 HG3 LYS 13 1HG LYS 13 -0.996 6.251 7.949
90 HD2 LYS 13 2HD LYS 13 1.190 5.334 7.961
91 HD3 LYS 13 1HD LYS 13 1.920 6.896 7.584
92 HE2 LYS 13 2HE LYS 13 1.637 7.699 9.720
93 HE3 LYS 13 1HE LYS 13 0.278 6.627 10.056
94 HZ1 LYS 13 3HZ LYS 13 3.133 5.833 9.887
95 HZ2 LYS 13 1HZ LYS 13 1.847 4.770 10.147
96 HZ3 LYS 13 2HZ LYS 13 2.214 5.952 11.298
97 H GLN 14 H GLN 14 -3.663 6.705 4.030
98 HA GLN 14 HA GLN 14 -4.142 3.995 4.286
99 HB2 GLN 14 2HB GLN 14 -5.825 5.440 3.392
100 HB3 GLN 14 1HB GLN 14 -4.794 5.904 2.048
101 HG2 GLN 14 2HG GLN 14 -4.969 3.700 1.089
102 HG3 GLN 14 1HG GLN 14 -5.890 3.134 2.484
103 HE21 GLN 14 1HE2 GLN 14 -7.576 2.522 1.095
104 HE22 GLN 14 2HE2 GLN 14 -8.659 3.692 0.427
105 H ALA 15 H ALA 15 -2.500 5.589 1.545
106 HA ALA 15 HA ALA 15 -1.837 3.159 0.258
107 HB1 ALA 15 3HB ALA 15 -0.568 5.864 -0.105
108 HB2 ALA 15 1HB ALA 15 -2.028 5.298 -0.917
109 HB3 ALA 15 2HB ALA 15 -0.483 4.502 -1.224
110 H LEU 16 H LEU 16 -0.274 4.893 2.820
111 HA LEU 16 HA LEU 16 2.277 3.597 2.331
112 HB2 LEU 16 2HB LEU 16 1.320 5.597 4.344
113 HB3 LEU 16 1HB LEU 16 2.837 4.753 4.580
114 HG LEU 16 HG LEU 16 3.409 5.625 2.194
115 HD11 LEU 16 1HD1 LEU 16 1.168 6.436 1.665
116 HD12 LEU 16 2HD1 LEU 16 2.349 7.744 1.641
117 HD13 LEU 16 3HD1 LEU 16 1.257 7.569 3.012
118 HD21 LEU 16 3HD2 LEU 16 4.304 7.690 3.161
119 HD22 LEU 16 1HD2 LEU 16 4.557 6.310 4.227
120 HD23 LEU 16 2HD2 LEU 16 3.276 7.468 4.577
121 H GLU 17 H GLU 17 -0.453 3.303 4.522
122 HA GLU 17 HA GLU 17 0.875 1.343 6.163
123 HB2 GLU 17 2HB GLU 17 -1.093 3.015 6.736
124 HB3 GLU 17 1HB GLU 17 -2.091 1.686 6.174
125 HG2 GLU 17 2HG GLU 17 0.011 1.312 8.277
126 HG3 GLU 17 1HG GLU 17 -1.624 1.839 8.666
127 H THR 18 H THR 18 -1.490 1.343 3.535
128 HA THR 18 HA THR 18 -2.151 -1.372 3.645
129 HB THR 18 HB THR 18 -3.375 0.326 2.269
130 HG1 THR 18 HG1 THR 18 -2.632 -2.226 1.461
131 HG21 THR 18 3HG2 THR 18 -1.135 -0.112 0.291
132 HG22 THR 18 1HG2 THR 18 -1.421 1.376 1.191
133 HG23 THR 18 2HG2 THR 18 -2.606 0.816 0.013
134 H VAL 19 H VAL 19 0.597 0.281 2.196
135 HA VAL 19 HA VAL 19 1.516 -2.052 0.804
136 HB VAL 19 HB VAL 19 2.030 0.405 0.218
137 HG11 VAL 19 1HG1 VAL 19 2.861 1.163 2.347
138 HG12 VAL 19 2HG1 VAL 19 4.147 1.260 1.145
139 HG13 VAL 19 3HG1 VAL 19 4.136 -0.055 2.320
140 HG21 VAL 19 3HG2 VAL 19 4.233 -0.218 -0.721
141 HG22 VAL 19 1HG2 VAL 19 2.974 -1.417 -1.015
142 HG23 VAL 19 2HG2 VAL 19 4.183 -1.695 0.239
143 H GLN 20 H GLN 20 1.878 -0.705 3.964
144 HA GLN 20 HA GLN 20 4.209 -2.184 4.712
145 HB2 GLN 20 2HB GLN 20 3.352 -0.044 5.801
146 HB3 GLN 20 1HB GLN 20 2.109 -1.029 6.558
147 HG2 GLN 20 2HG GLN 20 4.010 -2.421 7.511
148 HG3 GLN 20 1HG GLN 20 5.075 -1.116 6.993
149 HE21 GLN 20 1HE2 GLN 20 4.544 -2.046 9.674
150 HE22 GLN 20 2HE2 GLN 20 3.897 -0.704 10.550
151 H ARG 21 H ARG 21 0.743 -2.656 4.857
152 HA ARG 21 HA ARG 21 0.929 -5.070 6.432
153 HB2 ARG 21 2HB ARG 21 -0.981 -3.410 6.504
154 HB3 ARG 21 1HB ARG 21 -1.474 -4.028 4.936
155 HG2 ARG 21 2HG ARG 21 -2.801 -5.132 6.550
156 HG3 ARG 21 1HG ARG 21 -1.612 -6.307 5.983
157 HD2 ARG 21 2HD ARG 21 -0.775 -4.717 8.311
158 HD3 ARG 21 1HD ARG 21 -2.150 -5.777 8.596
159 HE ARG 21 HE ARG 21 -0.188 -7.271 7.296
160 HH11 ARG 21 1HH1 ARG 21 -0.644 -5.620 10.352
161 HH12 ARG 21 2HH1 ARG 21 0.363 -6.717 11.243
162 HH21 ARG 21 1HH2 ARG 21 1.135 -8.744 8.493
163 HH22 ARG 21 2HH2 ARG 21 1.369 -8.484 10.191
164 H LEU 22 H LEU 22 0.620 -4.231 3.033
165 HA LEU 22 HA LEU 22 -0.033 -6.911 2.212
166 HB2 LEU 22 2HB LEU 22 0.712 -4.411 0.726
167 HB3 LEU 22 1HB LEU 22 0.551 -5.949 -0.100
168 HG LEU 22 HG LEU 22 -1.649 -4.626 1.489
169 HD11 LEU 22 1HD1 LEU 22 -1.231 -4.768 -1.495
170 HD12 LEU 22 2HD1 LEU 22 -1.079 -3.323 -0.493
171 HD13 LEU 22 3HD1 LEU 22 -2.648 -4.110 -0.675
172 HD21 LEU 22 3HD2 LEU 22 -1.911 -7.022 1.426
173 HD22 LEU 22 1HD2 LEU 22 -1.622 -7.045 -0.314
174 HD23 LEU 22 2HD2 LEU 22 -3.077 -6.284 0.329
175 H LEU 23 H LEU 23 2.860 -5.082 2.705
176 HA LEU 23 HA LEU 23 4.707 -6.324 1.110
177 HB2 LEU 23 2HB LEU 23 5.412 -4.455 2.315
178 HB3 LEU 23 1HB LEU 23 4.900 -5.130 3.848
179 HG LEU 23 HG LEU 23 6.767 -6.839 3.558
180 HD11 LEU 23 1HD1 LEU 23 8.607 -6.199 2.111
181 HD12 LEU 23 2HD1 LEU 23 7.678 -4.828 1.504
182 HD13 LEU 23 3HD1 LEU 23 7.144 -6.476 1.165
183 HD21 LEU 23 3HD2 LEU 23 7.510 -3.932 3.849
184 HD22 LEU 23 1HD2 LEU 23 8.429 -5.312 4.444
185 HD23 LEU 23 2HD2 LEU 23 6.841 -4.952 5.123
186 HA PRO 24 HA PRO 24 5.635 -9.733 4.476
187 HB2 PRO 24 2HB PRO 24 3.513 -10.301 6.137
188 HB3 PRO 24 1HB PRO 24 4.901 -9.308 6.585
189 HG2 PRO 24 2HG PRO 24 2.184 -8.467 5.667
190 HG3 PRO 24 1HG PRO 24 3.209 -7.767 6.934
191 HD2 PRO 24 2HD PRO 24 2.995 -6.624 4.518
192 HD3 PRO 24 1HD PRO 24 4.530 -6.624 5.410
193 H VAL 25 H VAL 25 2.516 -9.201 3.033
194 HA VAL 25 HA VAL 25 1.862 -12.006 2.827
195 HB VAL 25 HB VAL 25 0.560 -9.668 1.422
196 HG11 VAL 25 1HG1 VAL 25 -1.366 -11.153 1.216
197 HG12 VAL 25 2HG1 VAL 25 -0.462 -12.444 2.008
198 HG13 VAL 25 3HG1 VAL 25 0.053 -11.849 0.430
199 HG21 VAL 25 3HG2 VAL 25 -0.149 -10.959 4.054
200 HG22 VAL 25 1HG2 VAL 25 -1.098 -9.723 3.229
201 HG23 VAL 25 2HG2 VAL 25 0.514 -9.341 3.834
202 H LEU 26 H LEU 26 2.622 -9.423 0.477
203 HA LEU 26 HA LEU 26 2.824 -11.207 -1.723
204 HB2 LEU 26 2HB LEU 26 3.501 -8.350 -1.246
205 HB3 LEU 26 1HB LEU 26 4.207 -9.140 -2.640
206 HG LEU 26 HG LEU 26 2.241 -8.016 -3.376
207 HD11 LEU 26 1HD1 LEU 26 1.018 -9.767 -4.391
208 HD12 LEU 26 2HD1 LEU 26 1.411 -10.894 -3.093
209 HD13 LEU 26 3HD1 LEU 26 2.672 -10.358 -4.206
210 HD21 LEU 26 3HD2 LEU 26 1.136 -7.748 -1.223
211 HD22 LEU 26 1HD2 LEU 26 0.754 -9.472 -1.195
212 HD23 LEU 26 2HD2 LEU 26 0.033 -8.429 -2.423
213 H CYS 27 H CYS 27 5.111 -10.060 0.653
214 HA CYS 27 HA CYS 27 7.441 -10.914 -0.740
215 HB2 CYS 27 2HB CYS 27 7.200 -9.256 1.272
216 HB3 CYS 27 1HB CYS 27 7.351 -10.713 2.248
217 HG CYS 27 HG CYS 27 9.859 -11.413 1.194
218 H GLN 28 H GLN 28 5.041 -12.543 1.073
219 HA GLN 28 HA GLN 28 6.721 -14.828 1.699
220 HB2 GLN 28 2HB GLN 28 4.957 -14.083 3.274
221 HB3 GLN 28 1HB GLN 28 3.740 -14.448 2.059
222 HG2 GLN 28 2HG GLN 28 4.748 -16.824 2.107
223 HG3 GLN 28 1HG GLN 28 5.438 -16.319 3.647
224 HE21 GLN 28 1HE2 GLN 28 3.517 -18.387 3.201
225 HE22 GLN 28 2HE2 GLN 28 2.095 -17.958 4.088
226 H ALA 29 H ALA 29 3.964 -14.055 -0.381
227 HA ALA 29 HA ALA 29 3.812 -16.660 -1.532
228 HB1 ALA 29 3HB ALA 29 2.183 -15.668 -3.054
229 HB2 ALA 29 1HB ALA 29 2.630 -14.059 -2.491
230 HB3 ALA 29 2HB ALA 29 1.866 -15.200 -1.384
231 H HIS 30 H HIS 30 5.102 -13.551 -2.721
232 HA HIS 30 HA HIS 30 6.365 -15.069 -4.910
233 HB2 HIS 30 2HB HIS 30 5.298 -12.266 -4.826
234 HB3 HIS 30 1HB HIS 30 6.517 -12.731 -6.007
235 HD1 HIS 30 HD1 HIS 30 5.747 -14.073 -8.019
236 HD2 HIS 30 HD2 HIS 30 2.783 -13.545 -5.152
237 HE1 HIS 30 HE1 HIS 30 3.610 -14.830 -9.103
238 HE2 HIS 30 HE2 HIS 30 1.849 -14.582 -7.327
239 H GLY 31 H GLY 31 6.873 -12.233 -2.799
240 HA2 GLY 31 2HA GLY 31 8.859 -11.766 -1.623
241 HA3 GLY 31 1HA GLY 31 9.681 -12.992 -2.571
242 H LEU 32 H LEU 32 8.110 -11.385 -4.850
243 HA LEU 32 HA LEU 32 10.436 -9.869 -5.617
244 HB2 LEU 32 2HB LEU 32 7.963 -10.803 -6.906
245 HB3 LEU 32 1HB LEU 32 8.543 -9.252 -7.482
246 HG LEU 32 HG LEU 32 9.339 -11.116 -8.865
247 HD11 LEU 32 1HD1 LEU 32 11.513 -9.725 -7.313
248 HD12 LEU 32 2HD1 LEU 32 10.677 -9.103 -8.733
249 HD13 LEU 32 3HD1 LEU 32 11.712 -10.522 -8.873
250 HD21 LEU 32 3HD2 LEU 32 10.968 -12.702 -7.990
251 HD22 LEU 32 1HD2 LEU 32 9.432 -12.839 -7.137
252 HD23 LEU 32 2HD2 LEU 32 10.790 -12.010 -6.379
253 H THR 33 H THR 33 7.770 -9.241 -3.761
254 HA THR 33 HA THR 33 6.651 -7.410 -3.032
255 HB THR 33 HB THR 33 8.166 -5.443 -2.510
256 HG1 THR 33 HG1 THR 33 9.669 -6.309 -4.340
257 HG21 THR 33 3HG2 THR 33 7.745 -7.270 -0.925
258 HG22 THR 33 1HG2 THR 33 9.394 -6.659 -0.787
259 HG23 THR 33 2HG2 THR 33 9.083 -8.180 -1.623
260 HA PRO 34 HA PRO 34 6.072 -5.285 -7.074
261 HB2 PRO 34 2HB PRO 34 3.651 -6.216 -7.693
262 HB3 PRO 34 1HB PRO 34 5.095 -7.205 -7.943
263 HG2 PRO 34 2HG PRO 34 3.044 -7.350 -5.783
264 HG3 PRO 34 1HG PRO 34 3.908 -8.662 -6.603
265 HD2 PRO 34 2HD PRO 34 4.558 -7.581 -4.105
266 HD3 PRO 34 1HD PRO 34 5.617 -8.591 -5.107
267 H GLU 35 H GLU 35 4.341 -5.429 -4.108
268 HA GLU 35 HA GLU 35 2.298 -3.567 -4.664
269 HB2 GLU 35 2HB GLU 35 1.925 -3.469 -2.285
270 HB3 GLU 35 1HB GLU 35 2.218 -5.131 -2.764
271 HG2 GLU 35 2HG GLU 35 4.117 -3.283 -1.340
272 HG3 GLU 35 1HG GLU 35 3.306 -4.696 -0.675
273 H GLN 36 H GLN 36 5.534 -3.147 -3.243
274 HA GLN 36 HA GLN 36 5.242 -0.355 -2.806
275 HB2 GLN 36 2HB GLN 36 7.703 -2.085 -3.083
276 HB3 GLN 36 1HB GLN 36 7.747 -0.385 -2.636
277 HG2 GLN 36 2HG GLN 36 6.780 -0.758 -0.576
278 HG3 GLN 36 1HG GLN 36 6.069 -2.292 -1.071
279 HE21 GLN 36 1HE2 GLN 36 7.412 -4.116 -1.263
280 HE22 GLN 36 2HE2 GLN 36 8.912 -4.208 -0.390
281 H VAL 37 H VAL 37 5.971 -2.242 -5.579
282 HA VAL 37 HA VAL 37 7.326 -0.245 -7.098
283 HB VAL 37 HB VAL 37 5.845 -2.696 -8.079
284 HG11 VAL 37 1HG1 VAL 37 6.301 -1.135 -9.873
285 HG12 VAL 37 2HG1 VAL 37 7.361 -2.536 -10.016
286 HG13 VAL 37 3HG1 VAL 37 7.985 -1.017 -9.377
287 HG21 VAL 37 3HG2 VAL 37 7.524 -3.317 -6.438
288 HG22 VAL 37 1HG2 VAL 37 8.736 -2.357 -7.288
289 HG23 VAL 37 2HG2 VAL 37 8.052 -3.790 -8.055
290 H VAL 38 H VAL 38 3.993 -0.871 -6.395
291 HA VAL 38 HA VAL 38 3.245 1.042 -8.503
292 HB VAL 38 HB VAL 38 2.269 -1.098 -8.991
293 HG11 VAL 38 1HG1 VAL 38 2.298 -2.114 -6.799
294 HG12 VAL 38 2HG1 VAL 38 0.676 -2.196 -7.482
295 HG13 VAL 38 3HG1 VAL 38 1.050 -1.003 -6.238
296 HG21 VAL 38 3HG2 VAL 38 -0.073 -0.509 -9.135
297 HG22 VAL 38 1HG2 VAL 38 0.929 0.906 -9.461
298 HG23 VAL 38 2HG2 VAL 38 0.138 0.728 -7.895
299 H ALA 39 H ALA 39 2.424 0.041 -5.170
300 HA ALA 39 HA ALA 39 0.589 2.142 -4.706
301 HB1 ALA 39 3HB ALA 39 0.649 0.111 -3.340
302 HB2 ALA 39 1HB ALA 39 0.777 1.567 -2.353
303 HB3 ALA 39 2HB ALA 39 2.213 0.600 -2.687
304 H ILE 40 H ILE 40 4.010 1.814 -3.775
305 HA ILE 40 HA ILE 40 4.183 4.378 -2.584
306 HB ILE 40 HB ILE 40 6.351 2.549 -3.632
307 HG12 ILE 40 2HG1 ILE 40 5.048 1.648 -1.739
308 HG13 ILE 40 1HG1 ILE 40 6.709 2.004 -1.271
309 HG21 ILE 40 1HG2 ILE 40 7.927 3.903 -2.332
310 HG22 ILE 40 2HG2 ILE 40 6.630 5.034 -1.945
311 HG23 ILE 40 3HG2 ILE 40 7.164 4.841 -3.616
312 HD11 ILE 40 3HD1 ILE 40 4.205 3.491 -0.564
313 HD12 ILE 40 1HD1 ILE 40 5.805 4.214 -0.389
314 HD13 ILE 40 2HD1 ILE 40 5.399 2.753 0.507
315 H ALA 41 H ALA 41 4.978 3.150 -5.807
316 HA ALA 41 HA ALA 41 6.228 5.411 -6.834
317 HB1 ALA 41 3HB ALA 41 4.542 3.393 -8.304
318 HB2 ALA 41 1HB ALA 41 6.264 3.257 -7.955
319 HB3 ALA 41 2HB ALA 41 5.683 4.517 -9.040
320 H SER 42 H SER 42 2.767 4.545 -6.982
321 HA SER 42 HA SER 42 2.015 6.866 -8.419
322 HB2 SER 42 2HB SER 42 0.275 5.171 -6.618
323 HB3 SER 42 1HB SER 42 -0.261 6.219 -7.932
324 HG SER 42 HG SER 42 1.469 4.649 -9.043
325 H HIS 43 H HIS 43 2.446 6.238 -4.999
326 HA HIS 43 HA HIS 43 1.040 8.638 -4.239
327 HB2 HIS 43 2HB HIS 43 1.378 6.411 -2.859
328 HB3 HIS 43 1HB HIS 43 2.840 7.237 -2.324
329 HD1 HIS 43 HD1 HIS 43 -0.893 7.431 -2.146
330 HD2 HIS 43 HD2 HIS 43 2.428 9.431 -0.634
331 HE1 HIS 43 HE1 HIS 43 -1.780 8.969 -0.360
332 HE2 HIS 43 HE2 HIS 43 0.224 10.271 0.457
333 H ASP 44 H ASP 44 4.368 7.614 -4.636
334 HA ASP 44 HA ASP 44 5.572 9.907 -3.485
335 HB2 ASP 44 2HB ASP 44 6.969 8.025 -3.701
336 HB3 ASP 44 1HB ASP 44 6.527 7.781 -5.387
337 H GLY 45 H GLY 45 5.266 9.000 -6.931
338 HA2 GLY 45 2HA GLY 45 5.515 11.860 -7.589
339 HA3 GLY 45 1HA GLY 45 5.868 10.536 -8.689
340 H GLY 46 H GLY 46 3.225 12.148 -6.962
341 HA2 GLY 46 2HA GLY 46 1.535 12.616 -8.987
342 HA3 GLY 46 1HA GLY 46 1.259 10.909 -8.695
343 H LYS 47 H LYS 47 0.504 10.273 -6.561
344 HA LYS 47 HA LYS 47 -1.702 11.785 -5.738
345 HB2 LYS 47 2HB LYS 47 -1.226 9.281 -5.416
346 HB3 LYS 47 1HB LYS 47 -0.360 9.767 -3.967
347 HG2 LYS 47 2HG LYS 47 -2.547 9.116 -3.323
348 HG3 LYS 47 1HG LYS 47 -2.434 10.867 -3.162
349 HD2 LYS 47 2HD LYS 47 -3.650 11.196 -5.202
350 HD3 LYS 47 1HD LYS 47 -3.615 9.468 -5.556
351 HE2 LYS 47 2HE LYS 47 -4.956 9.052 -3.535
352 HE3 LYS 47 1HE LYS 47 -5.014 10.787 -3.235
353 HZ1 LYS 47 3HZ LYS 47 -6.111 11.021 -5.428
354 HZ2 LYS 47 1HZ LYS 47 -7.020 10.145 -4.305
355 HZ3 LYS 47 2HZ LYS 47 -6.192 9.336 -5.539
356 H GLN 48 H GLN 48 1.609 11.936 -4.657
357 HA GLN 48 HA GLN 48 1.163 13.119 -2.140
358 HB2 GLN 48 2HB GLN 48 3.375 12.258 -3.489
359 HB3 GLN 48 1HB GLN 48 3.590 14.005 -3.536
360 HG2 GLN 48 2HG GLN 48 3.412 14.122 -1.126
361 HG3 GLN 48 1HG GLN 48 3.106 12.389 -1.042
362 HE21 GLN 48 1HE2 GLN 48 5.074 11.787 -3.130
363 HE22 GLN 48 2HE2 GLN 48 6.620 11.966 -2.377
364 H ALA 49 H ALA 49 0.849 14.367 -5.320
365 HA ALA 49 HA ALA 49 1.225 17.134 -4.632
366 HB1 ALA 49 3HB ALA 49 0.428 17.598 -6.873
367 HB2 ALA 49 1HB ALA 49 -0.121 15.932 -7.050
368 HB3 ALA 49 2HB ALA 49 1.601 16.282 -6.909
369 H LEU 50 H LEU 50 -1.170 14.898 -4.032
370 HA LEU 50 HA LEU 50 -3.191 17.012 -3.658
371 HB2 LEU 50 2HB LEU 50 -3.374 14.323 -4.824
372 HB3 LEU 50 1HB LEU 50 -4.595 14.651 -3.612
373 HG LEU 50 HG LEU 50 -5.462 15.142 -5.820
374 HD11 LEU 50 1HD1 LEU 50 -6.278 17.359 -5.454
375 HD12 LEU 50 2HD1 LEU 50 -4.930 17.734 -4.383
376 HD13 LEU 50 3HD1 LEU 50 -6.143 16.555 -3.891
377 HD21 LEU 50 3HD2 LEU 50 -4.500 16.978 -7.165
378 HD22 LEU 50 1HD2 LEU 50 -3.420 15.592 -7.012
379 HD23 LEU 50 2HD2 LEU 50 -3.135 17.042 -6.049
380 H GLU 51 H GLU 51 -0.962 15.584 -2.022
381 HA GLU 51 HA GLU 51 -2.314 14.277 0.120
382 HB2 GLU 51 2HB GLU 51 0.135 13.999 -0.558
383 HB3 GLU 51 1HB GLU 51 0.426 15.529 0.257
384 HG2 GLU 51 2HG GLU 51 0.982 13.838 1.798
385 HG3 GLU 51 1HG GLU 51 -0.570 14.486 2.323
Start of MODEL 7
1 H1 GLU 1 1HT GLU 1 -14.154 -1.386 0.917
2 H2 GLU 1 2HT GLU 1 -14.256 0.251 1.307
3 H3 GLU 1 3HT GLU 1 -14.674 -0.919 2.457
4 HA GLU 1 HA GLU 1 -11.984 -0.399 1.354
5 HB2 GLU 1 2HB GLU 1 -13.068 -0.146 4.169
6 HB3 GLU 1 1HB GLU 1 -11.419 0.194 3.663
7 HG2 GLU 1 2HG GLU 1 -13.801 1.663 2.575
8 HG3 GLU 1 1HG GLU 1 -12.916 2.186 4.007
9 H GLN 2 H GLN 2 -10.666 -2.096 1.332
10 HA GLN 2 HA GLN 2 -11.550 -4.640 2.328
11 HB2 GLN 2 2HB GLN 2 -9.239 -5.389 1.546
12 HB3 GLN 2 1HB GLN 2 -10.326 -4.764 0.316
13 HG2 GLN 2 2HG GLN 2 -8.454 -2.865 1.604
14 HG3 GLN 2 1HG GLN 2 -7.789 -4.041 0.471
15 HE21 GLN 2 1HE2 GLN 2 -8.316 -3.900 -1.690
16 HE22 GLN 2 2HE2 GLN 2 -9.077 -2.507 -2.373
17 H VAL 3 H VAL 3 -9.719 -5.999 3.486
18 HA VAL 3 HA VAL 3 -9.606 -5.169 6.122
19 HB VAL 3 HB VAL 3 -7.828 -6.920 6.437
20 HG11 VAL 3 1HG1 VAL 3 -10.273 -7.352 6.563
21 HG12 VAL 3 2HG1 VAL 3 -9.331 -8.754 6.065
22 HG13 VAL 3 3HG1 VAL 3 -10.233 -7.829 4.868
23 HG21 VAL 3 3HG2 VAL 3 -8.214 -7.288 3.466
24 HG22 VAL 3 1HG2 VAL 3 -7.367 -8.414 4.526
25 HG23 VAL 3 2HG2 VAL 3 -6.731 -6.787 4.277
26 H VAL 4 H VAL 4 -7.168 -4.696 3.605
27 HA VAL 4 HA VAL 4 -5.282 -3.577 5.478
28 HB VAL 4 HB VAL 4 -3.930 -3.044 3.454
29 HG11 VAL 4 1HG1 VAL 4 -3.603 -5.142 4.596
30 HG12 VAL 4 2HG1 VAL 4 -3.473 -5.397 2.856
31 HG13 VAL 4 3HG1 VAL 4 -4.939 -5.873 3.709
32 HG21 VAL 4 3HG2 VAL 4 -6.206 -4.385 1.994
33 HG22 VAL 4 1HG2 VAL 4 -4.649 -3.958 1.285
34 HG23 VAL 4 2HG2 VAL 4 -5.733 -2.692 1.860
35 H ALA 5 H ALA 5 -7.882 -2.404 3.570
36 HA ALA 5 HA ALA 5 -6.914 0.314 3.440
37 HB1 ALA 5 3HB ALA 5 -9.070 0.819 2.401
38 HB2 ALA 5 1HB ALA 5 -9.615 -0.824 2.743
39 HB3 ALA 5 2HB ALA 5 -8.278 -0.555 1.623
40 H ILE 6 H ILE 6 -9.275 -1.533 5.332
41 HA ILE 6 HA ILE 6 -10.332 0.712 6.705
42 HB ILE 6 HB ILE 6 -11.141 -0.927 8.397
43 HG12 ILE 6 2HG1 ILE 6 -9.767 -2.944 6.603
44 HG13 ILE 6 1HG1 ILE 6 -9.294 -2.547 8.251
45 HG21 ILE 6 1HG2 ILE 6 -12.687 -2.085 6.875
46 HG22 ILE 6 2HG2 ILE 6 -11.680 -1.609 5.510
47 HG23 ILE 6 3HG2 ILE 6 -12.501 -0.379 6.470
48 HD11 ILE 6 3HD1 ILE 6 -11.417 -3.426 9.071
49 HD12 ILE 6 1HD1 ILE 6 -10.522 -4.639 8.156
50 HD13 ILE 6 2HD1 ILE 6 -11.893 -3.813 7.418
51 H ALA 7 H ALA 7 -7.491 -1.220 7.123
52 HA ALA 7 HA ALA 7 -6.937 -0.349 9.803
53 HB1 ALA 7 3HB ALA 7 -4.805 -1.490 9.522
54 HB2 ALA 7 1HB ALA 7 -5.098 -1.648 7.790
55 HB3 ALA 7 2HB ALA 7 -6.123 -2.507 8.938
56 H SER 8 H SER 8 -5.746 0.464 6.561
57 HA SER 8 HA SER 8 -3.893 2.419 7.495
58 HB2 SER 8 2HB SER 8 -3.862 3.072 5.031
59 HB3 SER 8 1HB SER 8 -3.396 1.417 5.404
60 HG SER 8 HG SER 8 -5.035 0.721 4.306
61 H ASN 9 H ASN 9 -7.255 2.425 6.663
62 HA ASN 9 HA ASN 9 -7.688 5.133 6.116
63 HB2 ASN 9 2HB ASN 9 -9.319 3.136 5.964
64 HB3 ASN 9 1HB ASN 9 -9.634 3.433 7.669
65 HD21 ASN 9 1HD2 ASN 9 -10.311 4.346 4.471
66 HD22 ASN 9 2HD2 ASN 9 -11.346 5.685 4.824
67 H ILE 10 H ILE 10 -7.543 3.387 9.180
68 HA ILE 10 HA ILE 10 -8.312 5.547 10.841
69 HB ILE 10 HB ILE 10 -6.547 3.221 11.624
70 HG12 ILE 10 2HG1 ILE 10 -8.537 2.331 10.563
71 HG13 ILE 10 1HG1 ILE 10 -8.665 2.105 12.302
72 HG21 ILE 10 1HG2 ILE 10 -7.415 3.587 13.856
73 HG22 ILE 10 2HG2 ILE 10 -8.446 4.894 13.270
74 HG23 ILE 10 3HG2 ILE 10 -6.690 5.075 13.246
75 HD11 ILE 10 3HD1 ILE 10 -10.148 4.037 12.441
76 HD12 ILE 10 1HD1 ILE 10 -10.779 2.807 11.346
77 HD13 ILE 10 2HD1 ILE 10 -10.019 4.258 10.696
78 H GLY 11 H GLY 11 -5.218 4.400 9.628
79 HA2 GLY 11 2HA GLY 11 -3.640 6.216 11.186
80 HA3 GLY 11 1HA GLY 11 -3.078 5.246 9.834
81 H GLY 12 H GLY 12 -5.382 6.430 8.226
82 HA2 GLY 12 2HA GLY 12 -5.866 8.378 7.039
83 HA3 GLY 12 1HA GLY 12 -4.613 9.212 7.943
84 H LYS 13 H LYS 13 -3.458 6.309 6.770
85 HA LYS 13 HA LYS 13 -2.428 7.579 4.327
86 HB2 LYS 13 2HB LYS 13 -0.402 5.868 5.130
87 HB3 LYS 13 1HB LYS 13 -0.389 7.621 5.238
88 HG2 LYS 13 2HG LYS 13 -1.617 7.140 7.527
89 HG3 LYS 13 1HG LYS 13 -0.802 5.581 7.361
90 HD2 LYS 13 2HD LYS 13 1.345 6.749 7.115
91 HD3 LYS 13 1HD LYS 13 0.521 8.299 7.301
92 HE2 LYS 13 2HE LYS 13 1.283 7.933 9.440
93 HE3 LYS 13 1HE LYS 13 -0.339 7.248 9.530
94 HZ1 LYS 13 3HZ LYS 13 1.367 5.822 10.530
95 HZ2 LYS 13 1HZ LYS 13 2.128 5.684 9.028
96 HZ3 LYS 13 2HZ LYS 13 0.570 5.057 9.245
97 H GLN 14 H GLN 14 -4.108 6.426 3.287
98 HA GLN 14 HA GLN 14 -4.414 3.628 3.355
99 HB2 GLN 14 2HB GLN 14 -5.803 5.700 2.254
100 HB3 GLN 14 1HB GLN 14 -5.106 4.953 0.825
101 HG2 GLN 14 2HG GLN 14 -6.024 2.749 1.835
102 HG3 GLN 14 1HG GLN 14 -7.048 3.820 2.791
103 HE21 GLN 14 1HE2 GLN 14 -8.957 3.203 1.820
104 HE22 GLN 14 2HE2 GLN 14 -9.341 3.597 0.182
105 H ALA 15 H ALA 15 -2.286 5.696 1.484
106 HA ALA 15 HA ALA 15 -1.431 3.380 -0.100
107 HB1 ALA 15 3HB ALA 15 -0.391 4.937 -1.597
108 HB2 ALA 15 1HB ALA 15 -0.684 6.271 -0.482
109 HB3 ALA 15 2HB ALA 15 -2.040 5.473 -1.277
110 H LEU 16 H LEU 16 -0.682 4.184 2.805
111 HA LEU 16 HA LEU 16 2.214 3.840 2.399
112 HB2 LEU 16 2HB LEU 16 0.922 6.007 3.671
113 HB3 LEU 16 1HB LEU 16 1.692 5.065 4.934
114 HG LEU 16 HG LEU 16 3.113 6.133 2.491
115 HD11 LEU 16 1HD1 LEU 16 4.110 7.761 4.022
116 HD12 LEU 16 2HD1 LEU 16 3.082 7.161 5.326
117 HD13 LEU 16 3HD1 LEU 16 2.357 7.952 3.924
118 HD21 LEU 16 3HD2 LEU 16 5.143 5.558 3.743
119 HD22 LEU 16 1HD2 LEU 16 4.157 4.135 3.408
120 HD23 LEU 16 2HD2 LEU 16 4.150 4.854 5.019
121 H GLU 17 H GLU 17 -0.511 3.314 4.639
122 HA GLU 17 HA GLU 17 0.986 1.424 6.200
123 HB2 GLU 17 2HB GLU 17 -1.457 2.813 6.472
124 HB3 GLU 17 1HB GLU 17 -1.851 1.101 6.502
125 HG2 GLU 17 2HG GLU 17 -1.512 1.592 8.724
126 HG3 GLU 17 1HG GLU 17 0.039 0.914 8.235
127 H THR 18 H THR 18 -1.339 1.261 3.577
128 HA THR 18 HA THR 18 -1.903 -1.470 3.637
129 HB THR 18 HB THR 18 -1.833 0.375 1.248
130 HG1 THR 18 HG1 THR 18 -3.601 1.178 2.061
131 HG21 THR 18 3HG2 THR 18 -3.260 -2.256 1.675
132 HG22 THR 18 1HG2 THR 18 -1.938 -1.951 0.547
133 HG23 THR 18 2HG2 THR 18 -3.503 -1.177 0.300
134 H VAL 19 H VAL 19 0.666 0.284 1.878
135 HA VAL 19 HA VAL 19 1.630 -1.948 0.471
136 HB VAL 19 HB VAL 19 2.268 0.284 -0.215
137 HG11 VAL 19 1HG1 VAL 19 3.903 1.604 1.043
138 HG12 VAL 19 2HG1 VAL 19 3.836 0.423 2.352
139 HG13 VAL 19 3HG1 VAL 19 2.407 1.371 1.944
140 HG21 VAL 19 3HG2 VAL 19 3.749 -1.425 -0.940
141 HG22 VAL 19 1HG2 VAL 19 4.564 -1.467 0.623
142 HG23 VAL 19 2HG2 VAL 19 4.748 -0.066 -0.430
143 H GLN 20 H GLN 20 2.311 -0.756 3.703
144 HA GLN 20 HA GLN 20 4.495 -2.556 4.161
145 HB2 GLN 20 2HB GLN 20 4.298 -0.437 5.396
146 HB3 GLN 20 1HB GLN 20 2.804 -1.004 6.132
147 HG2 GLN 20 2HG GLN 20 4.185 -2.946 7.030
148 HG3 GLN 20 1HG GLN 20 5.597 -1.995 6.572
149 HE21 GLN 20 1HE2 GLN 20 4.644 -2.856 9.197
150 HE22 GLN 20 2HE2 GLN 20 4.478 -1.408 10.130
151 H ARG 21 H ARG 21 1.040 -2.518 4.859
152 HA ARG 21 HA ARG 21 1.027 -4.835 6.477
153 HB2 ARG 21 2HB ARG 21 -0.784 -3.125 6.405
154 HB3 ARG 21 1HB ARG 21 -1.246 -3.731 4.820
155 HG2 ARG 21 2HG ARG 21 -2.685 -4.613 6.587
156 HG3 ARG 21 1HG ARG 21 -1.784 -5.898 5.784
157 HD2 ARG 21 2HD ARG 21 -0.128 -5.810 7.642
158 HD3 ARG 21 1HD ARG 21 -1.177 -4.655 8.460
159 HE ARG 21 HE ARG 21 -2.667 -6.357 8.943
160 HH11 ARG 21 1HH1 ARG 21 -0.127 -7.550 6.828
161 HH12 ARG 21 2HH1 ARG 21 -0.468 -9.218 7.150
162 HH21 ARG 21 1HH2 ARG 21 -3.137 -8.548 9.339
163 HH22 ARG 21 2HH2 ARG 21 -2.192 -9.788 8.571
164 H LEU 22 H LEU 22 0.786 -4.338 3.016
165 HA LEU 22 HA LEU 22 0.214 -7.155 2.552
166 HB2 LEU 22 2HB LEU 22 0.489 -4.769 0.735
167 HB3 LEU 22 1HB LEU 22 0.349 -6.402 0.113
168 HG LEU 22 HG LEU 22 -1.717 -5.067 1.866
169 HD11 LEU 22 1HD1 LEU 22 -1.710 -5.518 -1.113
170 HD12 LEU 22 2HD1 LEU 22 -1.566 -3.962 -0.296
171 HD13 LEU 22 3HD1 LEU 22 -3.057 -4.891 -0.163
172 HD21 LEU 22 3HD2 LEU 22 -1.766 -7.469 2.096
173 HD22 LEU 22 1HD2 LEU 22 -1.718 -7.674 0.345
174 HD23 LEU 22 2HD2 LEU 22 -3.135 -6.956 1.109
175 H LEU 23 H LEU 23 2.932 -5.268 3.035
176 HA LEU 23 HA LEU 23 4.763 -6.199 1.166
177 HB2 LEU 23 2HB LEU 23 5.202 -4.334 2.694
178 HB3 LEU 23 1HB LEU 23 5.268 -5.446 4.044
179 HG LEU 23 HG LEU 23 7.180 -6.528 2.498
180 HD11 LEU 23 1HD1 LEU 23 8.481 -4.851 1.415
181 HD12 LEU 23 2HD1 LEU 23 7.407 -3.571 1.978
182 HD13 LEU 23 3HD1 LEU 23 6.837 -4.741 0.789
183 HD21 LEU 23 3HD2 LEU 23 7.519 -4.197 4.381
184 HD22 LEU 23 1HD2 LEU 23 8.788 -5.324 3.897
185 HD23 LEU 23 2HD2 LEU 23 7.408 -5.898 4.834
186 HA PRO 24 HA PRO 24 6.044 -9.777 4.235
187 HB2 PRO 24 2HB PRO 24 4.054 -10.554 5.969
188 HB3 PRO 24 1HB PRO 24 5.392 -9.488 6.407
189 HG2 PRO 24 2HG PRO 24 2.592 -8.783 5.605
190 HG3 PRO 24 1HG PRO 24 3.583 -8.110 6.913
191 HD2 PRO 24 2HD PRO 24 3.284 -6.793 4.618
192 HD3 PRO 24 1HD PRO 24 4.852 -6.816 5.454
193 H VAL 25 H VAL 25 2.673 -9.385 3.334
194 HA VAL 25 HA VAL 25 2.082 -12.095 2.832
195 HB VAL 25 HB VAL 25 0.858 -9.612 1.608
196 HG11 VAL 25 1HG1 VAL 25 0.338 -11.533 0.243
197 HG12 VAL 25 2HG1 VAL 25 -1.095 -11.065 1.157
198 HG13 VAL 25 3HG1 VAL 25 -0.140 -12.457 1.667
199 HG21 VAL 25 3HG2 VAL 25 -0.019 -11.269 3.972
200 HG22 VAL 25 1HG2 VAL 25 -0.888 -9.894 3.298
201 HG23 VAL 25 2HG2 VAL 25 0.691 -9.659 4.044
202 H LEU 26 H LEU 26 2.969 -9.443 0.635
203 HA LEU 26 HA LEU 26 3.132 -11.095 -1.663
204 HB2 LEU 26 2HB LEU 26 3.647 -8.298 -0.982
205 HB3 LEU 26 1HB LEU 26 4.693 -8.921 -2.241
206 HG LEU 26 HG LEU 26 2.758 -7.835 -3.219
207 HD11 LEU 26 1HD1 LEU 26 2.034 -9.560 -4.701
208 HD12 LEU 26 2HD1 LEU 26 2.451 -10.815 -3.537
209 HD13 LEU 26 3HD1 LEU 26 3.724 -9.860 -4.301
210 HD21 LEU 26 3HD2 LEU 26 1.197 -8.099 -1.364
211 HD22 LEU 26 1HD2 LEU 26 1.104 -9.831 -1.676
212 HD23 LEU 26 2HD2 LEU 26 0.494 -8.687 -2.871
213 H CYS 27 H CYS 27 5.492 -10.113 0.758
214 HA CYS 27 HA CYS 27 7.778 -10.980 -0.694
215 HB2 CYS 27 2HB CYS 27 7.315 -10.538 2.254
216 HB3 CYS 27 1HB CYS 27 8.875 -10.999 1.587
217 HG CYS 27 HG CYS 27 7.714 -8.381 -0.041
218 H GLN 28 H GLN 28 5.516 -12.582 1.440
219 HA GLN 28 HA GLN 28 7.100 -14.984 1.629
220 HB2 GLN 28 2HB GLN 28 5.725 -14.412 3.504
221 HB3 GLN 28 1HB GLN 28 4.294 -14.300 2.496
222 HG2 GLN 28 2HG GLN 28 4.576 -16.759 2.020
223 HG3 GLN 28 1HG GLN 28 5.799 -16.772 3.290
224 HE21 GLN 28 1HE2 GLN 28 5.178 -16.639 5.411
225 HE22 GLN 28 2HE2 GLN 28 3.528 -16.718 5.916
226 H ALA 29 H ALA 29 4.143 -13.991 -0.056
227 HA ALA 29 HA ALA 29 3.772 -16.562 -1.272
228 HB1 ALA 29 3HB ALA 29 1.940 -15.505 -2.468
229 HB2 ALA 29 1HB ALA 29 2.466 -13.924 -1.894
230 HB3 ALA 29 2HB ALA 29 1.877 -15.130 -0.746
231 H HIS 30 H HIS 30 5.492 -13.672 -2.160
232 HA HIS 30 HA HIS 30 6.153 -14.957 -4.724
233 HB2 HIS 30 2HB HIS 30 4.932 -12.315 -4.288
234 HB3 HIS 30 1HB HIS 30 6.325 -12.305 -5.362
235 HD1 HIS 30 HD1 HIS 30 6.099 -13.603 -7.613
236 HD2 HIS 30 HD2 HIS 30 2.634 -13.486 -5.318
237 HE1 HIS 30 HE1 HIS 30 4.245 -14.313 -9.150
238 HE2 HIS 30 HE2 HIS 30 2.141 -14.110 -7.778
239 H GLY 31 H GLY 31 7.061 -11.995 -2.974
240 HA2 GLY 31 2HA GLY 31 9.268 -12.016 -1.836
241 HA3 GLY 31 1HA GLY 31 9.884 -12.821 -3.275
242 H LEU 32 H LEU 32 8.527 -11.322 -5.208
243 HA LEU 32 HA LEU 32 10.253 -9.140 -5.565
244 HB2 LEU 32 2HB LEU 32 9.204 -10.214 -7.448
245 HB3 LEU 32 1HB LEU 32 7.608 -9.812 -6.847
246 HG LEU 32 HG LEU 32 8.175 -7.387 -7.184
247 HD11 LEU 32 1HD1 LEU 32 10.543 -8.521 -8.662
248 HD12 LEU 32 2HD1 LEU 32 10.607 -7.613 -7.151
249 HD13 LEU 32 3HD1 LEU 32 10.048 -6.830 -8.628
250 HD21 LEU 32 3HD2 LEU 32 8.320 -9.109 -9.655
251 HD22 LEU 32 1HD2 LEU 32 7.795 -7.427 -9.571
252 HD23 LEU 32 2HD2 LEU 32 6.839 -8.688 -8.791
253 H THR 33 H THR 33 6.846 -9.253 -4.595
254 HA THR 33 HA THR 33 5.494 -7.793 -3.518
255 HB THR 33 HB THR 33 7.936 -6.327 -2.548
256 HG1 THR 33 HG1 THR 33 8.475 -8.403 -2.072
257 HG21 THR 33 3HG2 THR 33 6.511 -6.240 -0.457
258 HG22 THR 33 1HG2 THR 33 5.189 -6.875 -1.434
259 HG23 THR 33 2HG2 THR 33 5.907 -5.313 -1.832
260 HA PRO 34 HA PRO 34 6.034 -4.759 -6.974
261 HB2 PRO 34 2HB PRO 34 3.177 -5.296 -7.370
262 HB3 PRO 34 1HB PRO 34 4.506 -5.409 -8.526
263 HG2 PRO 34 2HG PRO 34 3.255 -7.593 -7.557
264 HG3 PRO 34 1HG PRO 34 4.979 -7.593 -7.971
265 HD2 PRO 34 2HD PRO 34 3.668 -7.386 -5.286
266 HD3 PRO 34 1HD PRO 34 5.122 -8.288 -5.761
267 H GLU 35 H GLU 35 4.134 -5.018 -4.157
268 HA GLU 35 HA GLU 35 2.509 -2.758 -4.286
269 HB2 GLU 35 2HB GLU 35 3.903 -3.807 -1.814
270 HB3 GLU 35 1HB GLU 35 2.436 -2.842 -1.866
271 HG2 GLU 35 2HG GLU 35 2.799 -5.691 -2.735
272 HG3 GLU 35 1HG GLU 35 1.788 -5.073 -1.431
273 H GLN 36 H GLN 36 5.910 -3.091 -3.455
274 HA GLN 36 HA GLN 36 6.236 -0.364 -2.639
275 HB2 GLN 36 2HB GLN 36 7.665 -2.373 -1.956
276 HB3 GLN 36 1HB GLN 36 8.414 -2.254 -3.541
277 HG2 GLN 36 2HG GLN 36 8.354 0.221 -1.935
278 HG3 GLN 36 1HG GLN 36 9.388 -1.077 -1.343
279 HE21 GLN 36 1HE2 GLN 36 10.159 1.497 -2.364
280 HE22 GLN 36 2HE2 GLN 36 11.171 1.209 -3.735
281 H VAL 37 H VAL 37 6.116 -2.022 -5.604
282 HA VAL 37 HA VAL 37 7.586 -0.009 -7.098
283 HB VAL 37 HB VAL 37 6.124 -2.407 -8.198
284 HG11 VAL 37 1HG1 VAL 37 8.423 -0.798 -9.303
285 HG12 VAL 37 2HG1 VAL 37 6.742 -0.668 -9.822
286 HG13 VAL 37 3HG1 VAL 37 7.635 -2.169 -10.086
287 HG21 VAL 37 3HG2 VAL 37 7.733 -3.129 -6.501
288 HG22 VAL 37 1HG2 VAL 37 9.003 -2.225 -7.324
289 HG23 VAL 37 2HG2 VAL 37 8.245 -3.603 -8.121
290 H VAL 38 H VAL 38 4.238 -1.017 -6.555
291 HA VAL 38 HA VAL 38 3.417 1.050 -8.472
292 HB VAL 38 HB VAL 38 2.499 -1.100 -9.039
293 HG11 VAL 38 1HG1 VAL 38 2.530 -2.140 -6.820
294 HG12 VAL 38 2HG1 VAL 38 0.963 -2.320 -7.610
295 HG13 VAL 38 3HG1 VAL 38 1.175 -1.124 -6.334
296 HG21 VAL 38 3HG2 VAL 38 0.111 -0.540 -9.091
297 HG22 VAL 38 1HG2 VAL 38 1.130 0.833 -9.518
298 HG23 VAL 38 2HG2 VAL 38 0.400 0.742 -7.916
299 H ALA 39 H ALA 39 2.424 -0.159 -5.230
300 HA ALA 39 HA ALA 39 0.626 1.942 -4.727
301 HB1 ALA 39 3HB ALA 39 0.622 -0.146 -3.453
302 HB2 ALA 39 1HB ALA 39 0.705 1.263 -2.396
303 HB3 ALA 39 2HB ALA 39 2.155 0.307 -2.707
304 H ILE 40 H ILE 40 3.970 1.530 -3.546
305 HA ILE 40 HA ILE 40 4.151 4.032 -2.286
306 HB ILE 40 HB ILE 40 6.182 2.078 -3.305
307 HG12 ILE 40 2HG1 ILE 40 4.995 1.745 -1.148
308 HG13 ILE 40 1HG1 ILE 40 6.740 1.874 -0.961
309 HG21 ILE 40 1HG2 ILE 40 6.852 4.809 -2.215
310 HG22 ILE 40 2HG2 ILE 40 7.214 4.196 -3.829
311 HG23 ILE 40 3HG2 ILE 40 8.004 3.488 -2.418
312 HD11 ILE 40 3HD1 ILE 40 5.706 3.100 0.798
313 HD12 ILE 40 1HD1 ILE 40 4.674 3.971 -0.335
314 HD13 ILE 40 2HD1 ILE 40 6.412 4.263 -0.322
315 H ALA 41 H ALA 41 4.882 3.044 -5.597
316 HA ALA 41 HA ALA 41 6.013 5.480 -6.452
317 HB1 ALA 41 3HB ALA 41 4.612 3.359 -8.066
318 HB2 ALA 41 1HB ALA 41 6.332 3.410 -7.682
319 HB3 ALA 41 2HB ALA 41 5.623 4.648 -8.718
320 H SER 42 H SER 42 2.689 4.247 -6.520
321 HA SER 42 HA SER 42 1.602 6.433 -7.951
322 HB2 SER 42 2HB SER 42 0.201 4.589 -5.997
323 HB3 SER 42 1HB SER 42 -0.578 5.609 -7.207
324 HG SER 42 HG SER 42 1.119 3.376 -7.629
325 H HIS 43 H HIS 43 2.308 5.885 -4.566
326 HA HIS 43 HA HIS 43 0.831 8.168 -3.662
327 HB2 HIS 43 2HB HIS 43 1.335 6.216 -2.192
328 HB3 HIS 43 1HB HIS 43 3.032 6.689 -2.207
329 HD1 HIS 43 HD1 HIS 43 3.700 8.080 -0.267
330 HD2 HIS 43 HD2 HIS 43 -0.339 8.519 -1.157
331 HE1 HIS 43 HE1 HIS 43 2.784 9.641 1.482
332 HE2 HIS 43 HE2 HIS 43 0.381 10.032 0.818
333 H ASP 44 H ASP 44 4.298 7.466 -4.088
334 HA ASP 44 HA ASP 44 5.161 10.071 -3.385
335 HB2 ASP 44 2HB ASP 44 6.691 8.210 -3.264
336 HB3 ASP 44 1HB ASP 44 6.511 7.898 -4.987
337 H GLY 45 H GLY 45 4.623 8.527 -6.553
338 HA2 GLY 45 2HA GLY 45 4.978 11.179 -7.796
339 HA3 GLY 45 1HA GLY 45 5.154 9.642 -8.627
340 H GLY 46 H GLY 46 2.640 11.267 -6.683
341 HA2 GLY 46 2HA GLY 46 0.811 11.705 -8.694
342 HA3 GLY 46 1HA GLY 46 0.531 10.049 -8.175
343 H LYS 47 H LYS 47 0.129 9.714 -5.856
344 HA LYS 47 HA LYS 47 -1.989 11.340 -4.973
345 HB2 LYS 47 2HB LYS 47 -1.375 8.862 -4.426
346 HB3 LYS 47 1HB LYS 47 -0.470 9.570 -3.096
347 HG2 LYS 47 2HG LYS 47 -2.581 8.969 -2.232
348 HG3 LYS 47 1HG LYS 47 -2.590 10.724 -2.405
349 HD2 LYS 47 2HD LYS 47 -3.864 10.565 -4.444
350 HD3 LYS 47 1HD LYS 47 -3.751 8.805 -4.419
351 HE2 LYS 47 2HE LYS 47 -5.165 10.538 -2.396
352 HE3 LYS 47 1HE LYS 47 -5.931 9.545 -3.635
353 HZ1 LYS 47 3HZ LYS 47 -4.860 7.592 -2.558
354 HZ2 LYS 47 1HZ LYS 47 -6.011 8.365 -1.594
355 HZ3 LYS 47 2HZ LYS 47 -4.368 8.605 -1.294
356 H GLN 48 H GLN 48 1.423 11.519 -4.391
357 HA GLN 48 HA GLN 48 1.429 12.986 -2.005
358 HB2 GLN 48 2HB GLN 48 3.393 11.879 -3.242
359 HB3 GLN 48 1HB GLN 48 3.458 13.357 -4.192
360 HG2 GLN 48 2HG GLN 48 5.067 13.527 -2.447
361 HG3 GLN 48 1HG GLN 48 3.746 14.631 -2.074
362 HE21 GLN 48 1HE2 GLN 48 5.727 13.443 -0.304
363 HE22 GLN 48 2HE2 GLN 48 4.840 12.583 0.903
364 H ALA 49 H ALA 49 0.654 13.930 -5.240
365 HA ALA 49 HA ALA 49 1.015 16.756 -4.721
366 HB1 ALA 49 3HB ALA 49 0.099 17.060 -6.986
367 HB2 ALA 49 1HB ALA 49 -0.204 15.324 -7.076
368 HB3 ALA 49 2HB ALA 49 1.449 15.925 -6.953
369 H LEU 50 H LEU 50 -1.340 14.444 -4.096
370 HA LEU 50 HA LEU 50 -3.503 16.433 -4.059
371 HB2 LEU 50 2HB LEU 50 -3.542 13.421 -4.037
372 HB3 LEU 50 1HB LEU 50 -4.959 14.375 -3.652
373 HG LEU 50 HG LEU 50 -5.340 13.921 -5.863
374 HD11 LEU 50 1HD1 LEU 50 -5.005 15.885 -7.158
375 HD12 LEU 50 2HD1 LEU 50 -3.621 16.367 -6.178
376 HD13 LEU 50 3HD1 LEU 50 -5.241 16.383 -5.484
377 HD21 LEU 50 3HD2 LEU 50 -3.604 13.816 -7.599
378 HD22 LEU 50 1HD2 LEU 50 -3.308 12.684 -6.281
379 HD23 LEU 50 2HD2 LEU 50 -2.384 14.183 -6.380
380 H GLU 51 H GLU 51 -1.414 14.607 -2.047
381 HA GLU 51 HA GLU 51 -3.101 15.003 0.301
382 HB2 GLU 51 2HB GLU 51 -0.564 13.459 -0.190
383 HB3 GLU 51 1HB GLU 51 -1.159 13.755 1.437
384 HG2 GLU 51 2HG GLU 51 -3.230 12.608 0.920
385 HG3 GLU 51 1HG GLU 51 -2.703 12.363 -0.742
Start of MODEL 8
1 H1 GLU 1 1HT GLU 1 -13.796 -1.751 1.770
2 H2 GLU 1 2HT GLU 1 -12.322 -2.552 1.539
3 H3 GLU 1 3HT GLU 1 -12.681 -1.842 3.037
4 HA GLU 1 HA GLU 1 -14.458 -3.370 3.419
5 HB2 GLU 1 2HB GLU 1 -14.937 -5.204 1.916
6 HB3 GLU 1 1HB GLU 1 -15.101 -3.685 1.054
7 HG2 GLU 1 2HG GLU 1 -12.721 -5.520 0.894
8 HG3 GLU 1 1HG GLU 1 -14.024 -5.438 -0.289
9 H GLN 2 H GLN 2 -11.361 -4.225 1.868
10 HA GLN 2 HA GLN 2 -10.935 -6.425 3.676
11 HB2 GLN 2 2HB GLN 2 -10.063 -6.268 1.298
12 HB3 GLN 2 1HB GLN 2 -8.885 -5.109 1.895
13 HG2 GLN 2 2HG GLN 2 -7.858 -6.736 3.284
14 HG3 GLN 2 1HG GLN 2 -9.163 -7.886 3.009
15 HE21 GLN 2 1HE2 GLN 2 -7.858 -5.946 0.427
16 HE22 GLN 2 2HE2 GLN 2 -7.032 -7.227 -0.386
17 H VAL 3 H VAL 3 -9.346 -6.572 5.275
18 HA VAL 3 HA VAL 3 -9.164 -4.437 7.041
19 HB VAL 3 HB VAL 3 -7.341 -5.756 8.168
20 HG11 VAL 3 1HG1 VAL 3 -8.816 -7.547 8.871
21 HG12 VAL 3 2HG1 VAL 3 -9.834 -7.294 7.450
22 HG13 VAL 3 3HG1 VAL 3 -9.724 -6.044 8.689
23 HG21 VAL 3 3HG2 VAL 3 -6.876 -8.010 7.345
24 HG22 VAL 3 1HG2 VAL 3 -6.376 -6.786 6.175
25 HG23 VAL 3 2HG2 VAL 3 -7.866 -7.699 5.919
26 H VAL 4 H VAL 4 -7.077 -5.256 4.374
27 HA VAL 4 HA VAL 4 -4.854 -3.683 5.223
28 HB VAL 4 HB VAL 4 -3.927 -4.029 3.037
29 HG11 VAL 4 1HG1 VAL 4 -3.847 -5.923 4.559
30 HG12 VAL 4 2HG1 VAL 4 -3.991 -6.468 2.888
31 HG13 VAL 4 3HG1 VAL 4 -5.401 -6.496 3.947
32 HG21 VAL 4 3HG2 VAL 4 -6.627 -5.083 2.200
33 HG22 VAL 4 1HG2 VAL 4 -5.164 -5.078 1.214
34 HG23 VAL 4 2HG2 VAL 4 -5.911 -3.553 1.692
35 H ALA 5 H ALA 5 -7.892 -2.855 4.017
36 HA ALA 5 HA ALA 5 -6.896 -0.304 2.953
37 HB1 ALA 5 3HB ALA 5 -9.091 -0.049 1.913
38 HB2 ALA 5 1HB ALA 5 -9.620 -1.565 2.644
39 HB3 ALA 5 2HB ALA 5 -8.336 -1.570 1.433
40 H ILE 6 H ILE 6 -9.148 -1.746 5.239
41 HA ILE 6 HA ILE 6 -10.313 0.593 6.246
42 HB ILE 6 HB ILE 6 -9.776 -1.986 7.728
43 HG12 ILE 6 2HG1 ILE 6 -12.257 -1.131 6.228
44 HG13 ILE 6 1HG1 ILE 6 -11.045 -2.232 5.580
45 HG21 ILE 6 1HG2 ILE 6 -11.749 0.228 8.274
46 HG22 ILE 6 2HG2 ILE 6 -10.339 -0.185 9.248
47 HG23 ILE 6 3HG2 ILE 6 -11.687 -1.314 9.125
48 HD11 ILE 6 3HD1 ILE 6 -12.711 -2.702 8.040
49 HD12 ILE 6 1HD1 ILE 6 -11.516 -3.808 7.370
50 HD13 ILE 6 2HD1 ILE 6 -12.974 -3.427 6.454
51 H ALA 7 H ALA 7 -7.580 -1.291 7.554
52 HA ALA 7 HA ALA 7 -6.996 0.437 9.687
53 HB1 ALA 7 3HB ALA 7 -4.841 -0.706 9.801
54 HB2 ALA 7 1HB ALA 7 -5.124 -1.410 8.209
55 HB3 ALA 7 2HB ALA 7 -6.159 -1.856 9.567
56 H SER 8 H SER 8 -5.904 0.415 6.352
57 HA SER 8 HA SER 8 -3.893 2.378 6.634
58 HB2 SER 8 2HB SER 8 -5.456 1.624 4.156
59 HB3 SER 8 1HB SER 8 -3.886 2.429 4.207
60 HG SER 8 HG SER 8 -4.346 -0.159 4.166
61 H ASN 9 H ASN 9 -7.325 2.524 5.837
62 HA ASN 9 HA ASN 9 -7.404 5.244 5.104
63 HB2 ASN 9 2HB ASN 9 -9.231 3.609 4.660
64 HB3 ASN 9 1HB ASN 9 -9.623 3.622 6.372
65 HD21 ASN 9 1HD2 ASN 9 -9.710 5.381 3.399
66 HD22 ASN 9 2HD2 ASN 9 -10.791 6.623 3.917
67 H ILE 10 H ILE 10 -8.030 3.637 8.210
68 HA ILE 10 HA ILE 10 -8.518 6.045 9.641
69 HB ILE 10 HB ILE 10 -8.078 3.191 10.401
70 HG12 ILE 10 2HG1 ILE 10 -10.221 3.690 11.676
71 HG13 ILE 10 1HG1 ILE 10 -10.215 5.266 10.896
72 HG21 ILE 10 1HG2 ILE 10 -8.000 5.450 12.392
73 HG22 ILE 10 2HG2 ILE 10 -6.688 4.333 12.024
74 HG23 ILE 10 3HG2 ILE 10 -8.161 3.740 12.792
75 HD11 ILE 10 3HD1 ILE 10 -11.673 3.839 9.679
76 HD12 ILE 10 1HD1 ILE 10 -10.448 2.574 9.579
77 HD13 ILE 10 2HD1 ILE 10 -10.225 4.086 8.701
78 H GLY 11 H GLY 11 -5.645 4.139 8.984
79 HA2 GLY 11 2HA GLY 11 -3.930 5.390 10.852
80 HA3 GLY 11 1HA GLY 11 -3.422 4.518 9.413
81 H GLY 12 H GLY 12 -5.024 6.320 7.683
82 HA2 GLY 12 2HA GLY 12 -4.988 8.616 7.010
83 HA3 GLY 12 1HA GLY 12 -3.538 8.839 7.983
84 H LYS 13 H LYS 13 -1.997 6.729 7.149
85 HA LYS 13 HA LYS 13 -1.206 7.663 4.516
86 HB2 LYS 13 2HB LYS 13 0.146 5.493 6.103
87 HB3 LYS 13 1HB LYS 13 0.848 6.548 4.885
88 HG2 LYS 13 2HG LYS 13 0.619 8.448 6.413
89 HG3 LYS 13 1HG LYS 13 -0.067 7.375 7.633
90 HD2 LYS 13 2HD LYS 13 2.701 7.169 6.445
91 HD3 LYS 13 1HD LYS 13 2.313 7.796 8.046
92 HE2 LYS 13 2HE LYS 13 1.894 4.978 7.055
93 HE3 LYS 13 1HE LYS 13 3.099 5.513 8.221
94 HZ1 LYS 13 3HZ LYS 13 0.907 6.368 9.416
95 HZ2 LYS 13 1HZ LYS 13 1.527 4.815 9.656
96 HZ3 LYS 13 2HZ LYS 13 0.243 5.050 8.577
97 H GLN 14 H GLN 14 -3.235 6.766 3.639
98 HA GLN 14 HA GLN 14 -4.081 4.193 3.548
99 HB2 GLN 14 2HB GLN 14 -5.082 6.229 2.431
100 HB3 GLN 14 1HB GLN 14 -3.974 5.935 1.097
101 HG2 GLN 14 2HG GLN 14 -4.965 3.715 0.778
102 HG3 GLN 14 1HG GLN 14 -6.102 4.050 2.083
103 HE21 GLN 14 1HE2 GLN 14 -6.568 3.467 -0.730
104 HE22 GLN 14 2HE2 GLN 14 -7.462 4.803 -1.362
105 H ALA 15 H ALA 15 -1.607 5.560 1.392
106 HA ALA 15 HA ALA 15 -1.193 3.117 -0.005
107 HB1 ALA 15 3HB ALA 15 0.567 5.554 0.123
108 HB2 ALA 15 1HB ALA 15 -0.752 5.295 -1.018
109 HB3 ALA 15 2HB ALA 15 0.670 4.252 -1.065
110 H LEU 16 H LEU 16 0.772 4.838 2.427
111 HA LEU 16 HA LEU 16 2.852 2.958 2.516
112 HB2 LEU 16 2HB LEU 16 2.182 5.375 3.825
113 HB3 LEU 16 1HB LEU 16 2.557 4.195 5.067
114 HG LEU 16 HG LEU 16 4.380 4.866 2.753
115 HD11 LEU 16 1HD1 LEU 16 4.143 6.785 4.215
116 HD12 LEU 16 2HD1 LEU 16 5.727 6.044 4.435
117 HD13 LEU 16 3HD1 LEU 16 4.457 5.777 5.625
118 HD21 LEU 16 3HD2 LEU 16 6.053 3.640 4.046
119 HD22 LEU 16 1HD2 LEU 16 4.680 2.606 3.641
120 HD23 LEU 16 2HD2 LEU 16 4.840 3.265 5.272
121 H GLU 17 H GLU 17 -0.022 3.285 4.598
122 HA GLU 17 HA GLU 17 0.582 1.201 6.372
123 HB2 GLU 17 2HB GLU 17 -1.525 2.996 5.969
124 HB3 GLU 17 1HB GLU 17 -2.260 1.406 5.819
125 HG2 GLU 17 2HG GLU 17 -2.496 1.750 8.054
126 HG3 GLU 17 1HG GLU 17 -0.928 0.947 8.036
127 H THR 18 H THR 18 -1.095 1.224 3.272
128 HA THR 18 HA THR 18 -1.934 -1.449 3.238
129 HB THR 18 HB THR 18 -1.340 0.532 1.046
130 HG1 THR 18 HG1 THR 18 -3.261 0.734 2.354
131 HG21 THR 18 3HG2 THR 18 -2.379 -2.284 0.694
132 HG22 THR 18 1HG2 THR 18 -0.839 -1.653 0.099
133 HG23 THR 18 2HG2 THR 18 -2.356 -1.037 -0.556
134 H VAL 19 H VAL 19 1.036 0.086 2.058
135 HA VAL 19 HA VAL 19 2.167 -2.236 0.928
136 HB VAL 19 HB VAL 19 3.523 0.259 1.962
137 HG11 VAL 19 1HG1 VAL 19 5.458 -0.406 0.650
138 HG12 VAL 19 2HG1 VAL 19 4.642 -1.891 0.162
139 HG13 VAL 19 3HG1 VAL 19 5.084 -1.644 1.849
140 HG21 VAL 19 3HG2 VAL 19 2.818 -0.560 -0.852
141 HG22 VAL 19 1HG2 VAL 19 3.547 0.961 -0.340
142 HG23 VAL 19 2HG2 VAL 19 1.892 0.576 0.129
143 H GLN 20 H GLN 20 2.615 -0.737 4.135
144 HA GLN 20 HA GLN 20 4.534 -2.634 5.002
145 HB2 GLN 20 2HB GLN 20 3.712 -0.253 5.958
146 HB3 GLN 20 1HB GLN 20 2.855 -1.329 7.055
147 HG2 GLN 20 2HG GLN 20 4.890 -2.344 7.765
148 HG3 GLN 20 1HG GLN 20 5.809 -1.491 6.525
149 HE21 GLN 20 1HE2 GLN 20 7.179 -0.474 7.920
150 HE22 GLN 20 2HE2 GLN 20 6.671 0.763 9.026
151 H ARG 21 H ARG 21 1.199 -2.917 4.563
152 HA ARG 21 HA ARG 21 0.985 -5.090 6.516
153 HB2 ARG 21 2HB ARG 21 -0.787 -3.358 6.518
154 HB3 ARG 21 1HB ARG 21 -1.190 -3.790 4.863
155 HG2 ARG 21 2HG ARG 21 -2.783 -4.832 6.270
156 HG3 ARG 21 1HG ARG 21 -1.702 -6.098 5.685
157 HD2 ARG 21 2HD ARG 21 -1.899 -6.591 7.943
158 HD3 ARG 21 1HD ARG 21 -0.400 -5.671 7.871
159 HE ARG 21 HE ARG 21 -2.992 -4.585 8.766
160 HH11 ARG 21 1HH1 ARG 21 0.513 -4.601 8.853
161 HH12 ARG 21 2HH1 ARG 21 0.614 -3.388 10.087
162 HH21 ARG 21 1HH2 ARG 21 -2.853 -3.010 10.415
163 HH22 ARG 21 2HH2 ARG 21 -1.300 -2.496 10.986
164 H LEU 22 H LEU 22 0.852 -4.439 3.061
165 HA LEU 22 HA LEU 22 0.128 -7.174 2.440
166 HB2 LEU 22 2HB LEU 22 0.662 -4.733 0.780
167 HB3 LEU 22 1HB LEU 22 0.531 -6.317 0.039
168 HG LEU 22 HG LEU 22 -1.622 -4.922 1.635
169 HD11 LEU 22 1HD1 LEU 22 -1.423 -5.560 -1.306
170 HD12 LEU 22 2HD1 LEU 22 -1.247 -3.959 -0.583
171 HD13 LEU 22 3HD1 LEU 22 -2.795 -4.799 -0.496
172 HD21 LEU 22 3HD2 LEU 22 -1.571 -7.620 0.288
173 HD22 LEU 22 1HD2 LEU 22 -3.040 -6.810 0.829
174 HD23 LEU 22 2HD2 LEU 22 -1.811 -7.284 2.002
175 H LEU 23 H LEU 23 3.033 -5.179 2.367
176 HA LEU 23 HA LEU 23 4.673 -6.718 0.769
177 HB2 LEU 23 2HB LEU 23 5.348 -4.550 1.614
178 HB3 LEU 23 1HB LEU 23 5.415 -5.173 3.250
179 HG LEU 23 HG LEU 23 7.248 -6.732 2.470
180 HD11 LEU 23 1HD1 LEU 23 8.439 -6.124 0.429
181 HD12 LEU 23 2HD1 LEU 23 7.213 -4.910 0.065
182 HD13 LEU 23 3HD1 LEU 23 6.784 -6.621 0.075
183 HD21 LEU 23 3HD2 LEU 23 8.972 -5.002 2.570
184 HD22 LEU 23 1HD2 LEU 23 7.708 -4.720 3.767
185 HD23 LEU 23 2HD2 LEU 23 7.749 -3.762 2.284
186 HA PRO 24 HA PRO 24 6.077 -9.318 4.698
187 HB2 PRO 24 2HB PRO 24 4.005 -9.608 6.521
188 HB3 PRO 24 1HB PRO 24 5.410 -8.562 6.729
189 HG2 PRO 24 2HG PRO 24 2.659 -7.882 5.789
190 HG3 PRO 24 1HG PRO 24 3.743 -6.963 6.851
191 HD2 PRO 24 2HD PRO 24 3.411 -6.280 4.292
192 HD3 PRO 24 1HD PRO 24 5.002 -6.161 5.073
193 H VAL 25 H VAL 25 2.952 -9.224 3.212
194 HA VAL 25 HA VAL 25 2.561 -12.101 3.531
195 HB VAL 25 HB VAL 25 0.792 -10.101 2.113
196 HG11 VAL 25 1HG1 VAL 25 0.439 -12.379 1.340
197 HG12 VAL 25 2HG1 VAL 25 -0.931 -11.848 2.315
198 HG13 VAL 25 3HG1 VAL 25 0.272 -12.939 3.001
199 HG21 VAL 25 3HG2 VAL 25 0.612 -11.212 4.909
200 HG22 VAL 25 1HG2 VAL 25 -0.634 -10.247 4.119
201 HG23 VAL 25 2HG2 VAL 25 0.945 -9.541 4.459
202 H LEU 26 H LEU 26 2.751 -9.700 0.903
203 HA LEU 26 HA LEU 26 2.790 -11.605 -1.188
204 HB2 LEU 26 2HB LEU 26 2.938 -8.749 -0.921
205 HB3 LEU 26 1HB LEU 26 4.143 -9.298 -2.070
206 HG LEU 26 HG LEU 26 2.077 -8.700 -3.212
207 HD11 LEU 26 1HD1 LEU 26 1.769 -10.699 -4.511
208 HD12 LEU 26 2HD1 LEU 26 2.441 -11.693 -3.218
209 HD13 LEU 26 3HD1 LEU 26 3.473 -10.556 -4.081
210 HD21 LEU 26 3HD2 LEU 26 0.493 -9.086 -1.421
211 HD22 LEU 26 1HD2 LEU 26 0.808 -10.821 -1.483
212 HD23 LEU 26 2HD2 LEU 26 0.028 -10.019 -2.845
213 H CYS 27 H CYS 27 5.314 -10.182 0.771
214 HA CYS 27 HA CYS 27 7.522 -10.897 -0.822
215 HB2 CYS 27 2HB CYS 27 7.578 -9.311 1.115
216 HB3 CYS 27 1HB CYS 27 7.450 -10.696 2.193
217 HG CYS 27 HG CYS 27 9.895 -11.782 0.875
218 H GLN 28 H GLN 28 5.503 -12.728 1.318
219 HA GLN 28 HA GLN 28 7.364 -14.969 1.349
220 HB2 GLN 28 2HB GLN 28 5.876 -14.127 3.329
221 HB3 GLN 28 1HB GLN 28 4.616 -15.059 2.530
222 HG2 GLN 28 2HG GLN 28 6.398 -16.958 2.566
223 HG3 GLN 28 1HG GLN 28 7.115 -15.987 3.852
224 HE21 GLN 28 1HE2 GLN 28 4.485 -18.020 2.928
225 HE22 GLN 28 2HE2 GLN 28 3.752 -18.133 4.490
226 H ALA 29 H ALA 29 4.140 -14.122 0.194
227 HA ALA 29 HA ALA 29 3.413 -16.604 -0.868
228 HB1 ALA 29 3HB ALA 29 1.734 -15.394 -2.120
229 HB2 ALA 29 1HB ALA 29 2.587 -13.877 -1.847
230 HB3 ALA 29 2HB ALA 29 1.860 -14.739 -0.491
231 H HIS 30 H HIS 30 4.749 -13.789 -2.630
232 HA HIS 30 HA HIS 30 5.731 -15.704 -4.640
233 HB2 HIS 30 2HB HIS 30 4.206 -13.179 -5.008
234 HB3 HIS 30 1HB HIS 30 5.492 -13.512 -6.166
235 HD1 HIS 30 HD1 HIS 30 2.151 -13.676 -6.358
236 HD2 HIS 30 HD2 HIS 30 4.989 -16.702 -6.606
237 HE1 HIS 30 HE1 HIS 30 1.047 -15.533 -7.640
238 HE2 HIS 30 HE2 HIS 30 2.839 -17.285 -7.916
239 H GLY 31 H GLY 31 6.328 -12.760 -2.855
240 HA2 GLY 31 2HA GLY 31 8.323 -11.765 -2.295
241 HA3 GLY 31 1HA GLY 31 9.142 -13.148 -2.998
242 H LEU 32 H LEU 32 6.932 -10.908 -4.622
243 HA LEU 32 HA LEU 32 9.197 -10.075 -6.312
244 HB2 LEU 32 2HB LEU 32 6.643 -11.208 -7.007
245 HB3 LEU 32 1HB LEU 32 6.805 -9.615 -7.717
246 HG LEU 32 HG LEU 32 7.536 -11.280 -9.298
247 HD11 LEU 32 1HD1 LEU 32 9.878 -9.770 -8.142
248 HD12 LEU 32 2HD1 LEU 32 8.725 -9.164 -9.330
249 HD13 LEU 32 3HD1 LEU 32 9.809 -10.488 -9.752
250 HD21 LEU 32 3HD2 LEU 32 9.471 -12.720 -8.833
251 HD22 LEU 32 1HD2 LEU 32 8.100 -13.070 -7.781
252 HD23 LEU 32 2HD2 LEU 32 9.473 -12.152 -7.163
253 H THR 33 H THR 33 7.454 -9.002 -3.901
254 HA THR 33 HA THR 33 6.413 -7.073 -3.236
255 HB THR 33 HB THR 33 8.746 -6.762 -2.692
256 HG1 THR 33 HG1 THR 33 7.012 -4.909 -2.719
257 HG21 THR 33 3HG2 THR 33 10.321 -5.597 -4.064
258 HG22 THR 33 1HG2 THR 33 9.093 -5.276 -5.292
259 HG23 THR 33 2HG2 THR 33 9.652 -6.927 -5.010
260 HA PRO 34 HA PRO 34 4.897 -5.298 -7.183
261 HB2 PRO 34 2HB PRO 34 2.570 -6.604 -7.407
262 HB3 PRO 34 1HB PRO 34 4.095 -7.346 -7.900
263 HG2 PRO 34 2HG PRO 34 2.391 -7.942 -5.573
264 HG3 PRO 34 1HG PRO 34 3.602 -8.957 -6.367
265 HD2 PRO 34 2HD PRO 34 3.878 -7.348 -3.982
266 HD3 PRO 34 1HD PRO 34 5.061 -8.452 -4.711
267 H GLU 35 H GLU 35 4.466 -4.707 -4.151
268 HA GLU 35 HA GLU 35 1.972 -3.173 -4.494
269 HB2 GLU 35 2HB GLU 35 1.535 -3.387 -2.130
270 HB3 GLU 35 1HB GLU 35 1.788 -4.987 -2.805
271 HG2 GLU 35 2HG GLU 35 3.794 -3.400 -1.207
272 HG3 GLU 35 1HG GLU 35 2.836 -4.756 -0.617
273 H GLN 36 H GLN 36 5.216 -3.183 -3.114
274 HA GLN 36 HA GLN 36 5.173 -0.513 -2.170
275 HB2 GLN 36 2HB GLN 36 6.763 -2.329 -1.475
276 HB3 GLN 36 1HB GLN 36 7.571 -2.133 -3.021
277 HG2 GLN 36 2HG GLN 36 7.970 0.260 -2.405
278 HG3 GLN 36 1HG GLN 36 7.370 -0.129 -0.791
279 HE21 GLN 36 1HE2 GLN 36 9.971 -0.491 -3.046
280 HE22 GLN 36 2HE2 GLN 36 11.098 -1.210 -1.949
281 H VAL 37 H VAL 37 6.241 -1.975 -5.197
282 HA VAL 37 HA VAL 37 7.329 0.433 -6.276
283 HB VAL 37 HB VAL 37 6.478 -1.882 -7.978
284 HG11 VAL 37 1HG1 VAL 37 7.450 0.092 -9.059
285 HG12 VAL 37 2HG1 VAL 37 8.488 -1.322 -9.232
286 HG13 VAL 37 3HG1 VAL 37 8.890 -0.070 -8.054
287 HG21 VAL 37 3HG2 VAL 37 7.515 -2.919 -6.059
288 HG22 VAL 37 1HG2 VAL 37 8.885 -1.810 -6.164
289 HG23 VAL 37 2HG2 VAL 37 8.611 -2.993 -7.441
290 H VAL 38 H VAL 38 4.150 -0.306 -5.724
291 HA VAL 38 HA VAL 38 3.353 1.317 -8.041
292 HB VAL 38 HB VAL 38 2.502 -0.917 -8.375
293 HG11 VAL 38 1HG1 VAL 38 2.460 -1.680 -6.052
294 HG12 VAL 38 2HG1 VAL 38 0.924 -1.980 -6.865
295 HG13 VAL 38 3HG1 VAL 38 1.074 -0.636 -5.738
296 HG21 VAL 38 3HG2 VAL 38 0.074 -0.426 -8.527
297 HG22 VAL 38 1HG2 VAL 38 1.100 0.847 -9.190
298 HG23 VAL 38 2HG2 VAL 38 0.353 1.051 -7.604
299 H ALA 39 H ALA 39 2.324 0.459 -4.720
300 HA ALA 39 HA ALA 39 0.559 2.663 -4.496
301 HB1 ALA 39 3HB ALA 39 0.430 2.115 -2.145
302 HB2 ALA 39 1HB ALA 39 1.854 1.082 -2.285
303 HB3 ALA 39 2HB ALA 39 0.363 0.644 -3.119
304 H ILE 40 H ILE 40 3.912 2.176 -3.417
305 HA ILE 40 HA ILE 40 4.091 4.706 -2.126
306 HB ILE 40 HB ILE 40 6.313 2.938 -3.172
307 HG12 ILE 40 2HG1 ILE 40 4.954 1.813 -1.483
308 HG13 ILE 40 1HG1 ILE 40 6.537 2.210 -0.828
309 HG21 ILE 40 1HG2 ILE 40 7.069 5.230 -2.875
310 HG22 ILE 40 2HG2 ILE 40 7.775 4.170 -1.653
311 HG23 ILE 40 3HG2 ILE 40 6.436 5.237 -1.227
312 HD11 ILE 40 3HD1 ILE 40 3.932 3.607 -0.283
313 HD12 ILE 40 1HD1 ILE 40 5.502 4.212 0.242
314 HD13 ILE 40 2HD1 ILE 40 4.909 2.665 0.843
315 H ALA 41 H ALA 41 5.018 3.519 -5.316
316 HA ALA 41 HA ALA 41 6.297 5.820 -6.248
317 HB1 ALA 41 3HB ALA 41 6.449 3.625 -7.332
318 HB2 ALA 41 1HB ALA 41 6.004 4.897 -8.466
319 HB3 ALA 41 2HB ALA 41 4.780 3.782 -7.865
320 H SER 42 H SER 42 2.884 4.837 -6.624
321 HA SER 42 HA SER 42 2.164 7.155 -8.091
322 HB2 SER 42 2HB SER 42 0.448 5.189 -6.564
323 HB3 SER 42 1HB SER 42 -0.167 6.413 -7.674
324 HG SER 42 HG SER 42 0.880 5.400 -9.358
325 H HIS 43 H HIS 43 2.287 6.456 -4.656
326 HA HIS 43 HA HIS 43 0.701 8.763 -3.962
327 HB2 HIS 43 2HB HIS 43 0.779 6.720 -2.534
328 HB3 HIS 43 1HB HIS 43 2.460 7.087 -2.162
329 HD1 HIS 43 HD1 HIS 43 -1.034 8.139 -1.380
330 HD2 HIS 43 HD2 HIS 43 2.849 9.238 -0.371
331 HE1 HIS 43 HE1 HIS 43 -1.256 9.695 0.578
332 HE2 HIS 43 HE2 HIS 43 1.099 10.244 1.251
333 H ASP 44 H ASP 44 4.137 7.893 -3.783
334 HA ASP 44 HA ASP 44 4.959 10.402 -2.710
335 HB2 ASP 44 2HB ASP 44 6.213 8.213 -2.531
336 HB3 ASP 44 1HB ASP 44 6.676 8.424 -4.217
337 H GLY 45 H GLY 45 4.799 9.060 -5.979
338 HA2 GLY 45 2HA GLY 45 5.518 11.736 -7.016
339 HA3 GLY 45 1HA GLY 45 5.917 10.235 -7.841
340 H GLY 46 H GLY 46 2.995 11.670 -6.416
341 HA2 GLY 46 2HA GLY 46 1.651 12.075 -8.839
342 HA3 GLY 46 1HA GLY 46 1.212 10.482 -8.235
343 H LYS 47 H LYS 47 0.428 10.409 -5.958
344 HA LYS 47 HA LYS 47 -1.706 12.263 -5.615
345 HB2 LYS 47 2HB LYS 47 -0.997 9.726 -4.598
346 HB3 LYS 47 1HB LYS 47 -1.152 10.783 -3.204
347 HG2 LYS 47 2HG LYS 47 -3.271 10.550 -5.322
348 HG3 LYS 47 1HG LYS 47 -3.220 9.524 -3.886
349 HD2 LYS 47 2HD LYS 47 -3.293 12.539 -3.804
350 HD3 LYS 47 1HD LYS 47 -4.726 11.518 -3.692
351 HE2 LYS 47 2HE LYS 47 -3.672 10.414 -1.707
352 HE3 LYS 47 1HE LYS 47 -2.396 11.630 -1.785
353 HZ1 LYS 47 3HZ LYS 47 -3.916 12.436 -0.229
354 HZ2 LYS 47 1HZ LYS 47 -5.260 12.011 -1.165
355 HZ3 LYS 47 2HZ LYS 47 -4.276 13.303 -1.638
356 H GLN 48 H GLN 48 1.490 12.645 -5.017
357 HA GLN 48 HA GLN 48 1.576 13.867 -2.485
358 HB2 GLN 48 2HB GLN 48 3.473 13.077 -4.147
359 HB3 GLN 48 1HB GLN 48 3.386 14.746 -4.693
360 HG2 GLN 48 2HG GLN 48 3.702 14.110 -1.789
361 HG3 GLN 48 1HG GLN 48 5.089 14.088 -2.873
362 HE21 GLN 48 1HE2 GLN 48 4.447 15.827 -0.611
363 HE22 GLN 48 2HE2 GLN 48 4.502 17.439 -1.229
364 H ALA 49 H ALA 49 1.003 15.148 -5.729
365 HA ALA 49 HA ALA 49 0.801 17.864 -4.783
366 HB1 ALA 49 3HB ALA 49 0.257 18.412 -7.094
367 HB2 ALA 49 1HB ALA 49 0.127 16.696 -7.478
368 HB3 ALA 49 2HB ALA 49 1.685 17.379 -7.012
369 H LEU 50 H LEU 50 -1.207 15.219 -4.743
370 HA LEU 50 HA LEU 50 -3.625 16.901 -4.683
371 HB2 LEU 50 2HB LEU 50 -3.225 14.063 -5.596
372 HB3 LEU 50 1HB LEU 50 -4.800 14.642 -5.101
373 HG LEU 50 HG LEU 50 -4.861 14.841 -7.413
374 HD11 LEU 50 1HD1 LEU 50 -4.939 17.183 -7.916
375 HD12 LEU 50 2HD1 LEU 50 -3.869 17.552 -6.561
376 HD13 LEU 50 3HD1 LEU 50 -5.496 16.938 -6.259
377 HD21 LEU 50 3HD2 LEU 50 -3.052 15.754 -8.784
378 HD22 LEU 50 1HD2 LEU 50 -2.522 14.348 -7.862
379 HD23 LEU 50 2HD2 LEU 50 -2.066 15.969 -7.340
380 H GLU 51 H GLU 51 -1.726 16.360 -2.548
381 HA GLU 51 HA GLU 51 -3.267 14.637 -0.754
382 HB2 GLU 51 2HB GLU 51 -0.750 14.385 -1.009
383 HB3 GLU 51 1HB GLU 51 -0.600 15.931 -0.188
384 HG2 GLU 51 2HG GLU 51 -0.285 13.984 1.297
385 HG3 GLU 51 1HG GLU 51 -1.597 15.050 1.795
Start of MODEL 9
1 H1 GLU 1 1HT GLU 1 -15.361 -1.886 4.139
2 H2 GLU 1 2HT GLU 1 -15.177 -3.227 5.156
3 H3 GLU 1 3HT GLU 1 -15.044 -3.417 3.485
4 HA GLU 1 HA GLU 1 -13.061 -2.134 3.414
5 HB2 GLU 1 2HB GLU 1 -13.665 -1.730 6.341
6 HB3 GLU 1 1HB GLU 1 -12.041 -1.532 5.700
7 HG2 GLU 1 2HG GLU 1 -12.917 0.619 5.737
8 HG3 GLU 1 1HG GLU 1 -13.067 0.116 4.054
9 H GLN 2 H GLN 2 -11.249 -3.338 3.308
10 HA GLN 2 HA GLN 2 -11.285 -5.911 4.720
11 HB2 GLN 2 2HB GLN 2 -9.445 -6.419 2.941
12 HB3 GLN 2 1HB GLN 2 -11.137 -6.425 2.468
13 HG2 GLN 2 2HG GLN 2 -10.884 -4.127 1.628
14 HG3 GLN 2 1HG GLN 2 -9.172 -4.186 2.043
15 HE21 GLN 2 1HE2 GLN 2 -10.480 -3.820 -0.539
16 HE22 GLN 2 2HE2 GLN 2 -9.876 -5.081 -1.560
17 H VAL 3 H VAL 3 -8.685 -6.668 4.649
18 HA VAL 3 HA VAL 3 -7.555 -5.432 6.856
19 HB VAL 3 HB VAL 3 -5.395 -6.559 6.139
20 HG11 VAL 3 1HG1 VAL 3 -6.272 -8.812 6.546
21 HG12 VAL 3 2HG1 VAL 3 -7.908 -8.214 6.286
22 HG13 VAL 3 3HG1 VAL 3 -6.962 -7.625 7.649
23 HG21 VAL 3 3HG2 VAL 3 -5.716 -6.536 3.736
24 HG22 VAL 3 1HG2 VAL 3 -7.161 -7.535 3.896
25 HG23 VAL 3 2HG2 VAL 3 -5.582 -8.199 4.312
26 H VAL 4 H VAL 4 -7.044 -4.724 3.443
27 HA VAL 4 HA VAL 4 -4.948 -2.802 4.044
28 HB VAL 4 HB VAL 4 -4.970 -2.393 1.565
29 HG11 VAL 4 1HG1 VAL 4 -4.018 -4.634 1.003
30 HG12 VAL 4 2HG1 VAL 4 -4.543 -5.189 2.592
31 HG13 VAL 4 3HG1 VAL 4 -3.354 -3.894 2.459
32 HG21 VAL 4 3HG2 VAL 4 -6.904 -4.712 1.553
33 HG22 VAL 4 1HG2 VAL 4 -6.173 -3.956 0.136
34 HG23 VAL 4 2HG2 VAL 4 -7.298 -3.040 1.141
35 H ALA 5 H ALA 5 -7.933 -2.536 4.766
36 HA ALA 5 HA ALA 5 -8.187 0.213 3.752
37 HB1 ALA 5 3HB ALA 5 -10.595 -0.053 3.572
38 HB2 ALA 5 1HB ALA 5 -10.462 -1.734 4.089
39 HB3 ALA 5 2HB ALA 5 -9.760 -1.226 2.553
40 H ILE 6 H ILE 6 -9.129 -2.092 6.294
41 HA ILE 6 HA ILE 6 -10.249 -0.197 8.041
42 HB ILE 6 HB ILE 6 -9.764 -1.872 9.860
43 HG12 ILE 6 2HG1 ILE 6 -8.738 -3.539 7.548
44 HG13 ILE 6 1HG1 ILE 6 -7.737 -2.867 8.830
45 HG21 ILE 6 1HG2 ILE 6 -11.377 -3.515 8.993
46 HG22 ILE 6 2HG2 ILE 6 -11.179 -2.837 7.379
47 HG23 ILE 6 3HG2 ILE 6 -11.868 -1.854 8.670
48 HD11 ILE 6 3HD1 ILE 6 -8.965 -4.216 10.470
49 HD12 ILE 6 1HD1 ILE 6 -8.179 -5.203 9.236
50 HD13 ILE 6 2HD1 ILE 6 -9.915 -4.915 9.159
51 H ALA 7 H ALA 7 -6.938 -1.491 7.893
52 HA ALA 7 HA ALA 7 -5.983 0.078 10.058
53 HB1 ALA 7 3HB ALA 7 -3.753 -0.585 9.302
54 HB2 ALA 7 1HB ALA 7 -4.438 -1.203 7.800
55 HB3 ALA 7 2HB ALA 7 -4.848 -1.966 9.336
56 H SER 8 H SER 8 -6.090 0.501 6.578
57 HA SER 8 HA SER 8 -4.504 2.790 6.350
58 HB2 SER 8 2HB SER 8 -6.873 2.139 4.605
59 HB3 SER 8 1HB SER 8 -5.379 2.956 4.154
60 HG SER 8 HG SER 8 -5.654 0.602 3.619
61 H ASN 9 H ASN 9 -7.921 2.388 7.096
62 HA ASN 9 HA ASN 9 -8.588 5.148 6.862
63 HB2 ASN 9 2HB ASN 9 -10.205 3.174 6.805
64 HB3 ASN 9 1HB ASN 9 -10.048 3.122 8.558
65 HD21 ASN 9 1HD2 ASN 9 -11.973 3.810 9.243
66 HD22 ASN 9 2HD2 ASN 9 -12.694 5.321 8.820
67 H ILE 10 H ILE 10 -7.401 3.112 9.432
68 HA ILE 10 HA ILE 10 -7.824 5.045 11.514
69 HB ILE 10 HB ILE 10 -6.150 2.527 11.490
70 HG12 ILE 10 2HG1 ILE 10 -8.525 2.064 11.217
71 HG13 ILE 10 1HG1 ILE 10 -8.003 1.589 12.829
72 HG21 ILE 10 1HG2 ILE 10 -6.956 4.266 13.818
73 HG22 ILE 10 2HG2 ILE 10 -5.329 4.098 13.159
74 HG23 ILE 10 3HG2 ILE 10 -6.116 2.719 13.928
75 HD11 ILE 10 3HD1 ILE 10 -9.554 4.061 12.092
76 HD12 ILE 10 1HD1 ILE 10 -8.944 3.697 13.709
77 HD13 ILE 10 2HD1 ILE 10 -10.146 2.647 12.962
78 H GLY 11 H GLY 11 -4.983 3.817 9.753
79 HA2 GLY 11 2HA GLY 11 -3.114 5.520 11.022
80 HA3 GLY 11 1HA GLY 11 -2.878 4.701 9.485
81 H GLY 12 H GLY 12 -4.923 5.844 7.988
82 HA2 GLY 12 2HA GLY 12 -5.699 7.941 7.194
83 HA3 GLY 12 1HA GLY 12 -4.429 8.735 8.111
84 H LYS 13 H LYS 13 -2.936 6.196 6.753
85 HA LYS 13 HA LYS 13 -2.241 7.710 4.319
86 HB2 LYS 13 2HB LYS 13 -0.328 5.803 5.607
87 HB3 LYS 13 1HB LYS 13 0.013 7.210 4.608
88 HG2 LYS 13 2HG LYS 13 -0.672 8.669 6.464
89 HG3 LYS 13 1HG LYS 13 -0.967 7.246 7.458
90 HD2 LYS 13 2HD LYS 13 1.687 8.059 6.280
91 HD3 LYS 13 1HD LYS 13 1.203 8.251 7.962
92 HE2 LYS 13 2HE LYS 13 1.536 5.646 6.480
93 HE3 LYS 13 1HE LYS 13 2.625 6.300 7.701
94 HZ1 LYS 13 3HZ LYS 13 1.298 4.738 8.802
95 HZ2 LYS 13 1HZ LYS 13 -0.133 5.268 8.068
96 HZ3 LYS 13 2HZ LYS 13 0.635 6.227 9.240
97 H GLN 14 H GLN 14 -3.767 6.594 3.089
98 HA GLN 14 HA GLN 14 -4.303 3.904 3.003
99 HB2 GLN 14 2HB GLN 14 -4.583 6.158 1.120
100 HB3 GLN 14 1HB GLN 14 -4.653 4.553 0.404
101 HG2 GLN 14 2HG GLN 14 -6.611 4.020 1.449
102 HG3 GLN 14 1HG GLN 14 -6.299 5.088 2.816
103 HE21 GLN 14 1HE2 GLN 14 -6.949 7.182 2.741
104 HE22 GLN 14 2HE2 GLN 14 -7.934 7.833 1.473
105 H ALA 15 H ALA 15 -2.026 5.556 0.808
106 HA ALA 15 HA ALA 15 -1.162 3.166 -0.421
107 HB1 ALA 15 3HB ALA 15 0.203 5.845 -0.318
108 HB2 ALA 15 1HB ALA 15 -0.976 5.314 -1.518
109 HB3 ALA 15 2HB ALA 15 0.597 4.525 -1.419
110 H LEU 16 H LEU 16 -0.175 4.639 2.556
111 HA LEU 16 HA LEU 16 2.345 3.165 2.549
112 HB2 LEU 16 2HB LEU 16 1.195 5.161 4.488
113 HB3 LEU 16 1HB LEU 16 2.698 4.301 4.769
114 HG LEU 16 HG LEU 16 2.119 6.277 2.559
115 HD11 LEU 16 1HD1 LEU 16 4.035 6.327 4.883
116 HD12 LEU 16 2HD1 LEU 16 2.590 7.315 4.686
117 HD13 LEU 16 3HD1 LEU 16 3.959 7.531 3.598
118 HD21 LEU 16 3HD2 LEU 16 4.476 4.449 2.977
119 HD22 LEU 16 1HD2 LEU 16 4.560 5.915 2.003
120 HD23 LEU 16 2HD2 LEU 16 3.465 4.616 1.543
121 H GLU 17 H GLU 17 -0.817 3.061 4.017
122 HA GLU 17 HA GLU 17 -0.078 1.117 5.988
123 HB2 GLU 17 2HB GLU 17 -2.480 2.597 5.229
124 HB3 GLU 17 1HB GLU 17 -2.824 0.937 5.697
125 HG2 GLU 17 2HG GLU 17 -3.011 2.409 7.602
126 HG3 GLU 17 1HG GLU 17 -1.664 1.295 7.817
127 H THR 18 H THR 18 -1.426 1.058 2.747
128 HA THR 18 HA THR 18 -2.133 -1.688 2.782
129 HB THR 18 HB THR 18 -3.107 -0.067 1.174
130 HG1 THR 18 HG1 THR 18 -1.794 -2.363 0.104
131 HG21 THR 18 3HG2 THR 18 -0.464 -0.289 -0.268
132 HG22 THR 18 1HG2 THR 18 -1.021 1.138 0.610
133 HG23 THR 18 2HG2 THR 18 -1.897 0.582 -0.816
134 H VAL 19 H VAL 19 0.811 0.046 1.879
135 HA VAL 19 HA VAL 19 2.073 -2.173 0.647
136 HB VAL 19 HB VAL 19 2.799 0.147 0.226
137 HG11 VAL 19 1HG1 VAL 19 4.164 1.346 1.824
138 HG12 VAL 19 2HG1 VAL 19 3.976 0.041 2.994
139 HG13 VAL 19 3HG1 VAL 19 2.577 1.001 2.514
140 HG21 VAL 19 3HG2 VAL 19 4.323 -1.662 -0.296
141 HG22 VAL 19 1HG2 VAL 19 4.944 -1.648 1.354
142 HG23 VAL 19 2HG2 VAL 19 5.225 -0.267 0.293
143 H GLN 20 H GLN 20 1.835 -1.081 3.956
144 HA GLN 20 HA GLN 20 3.865 -2.904 4.897
145 HB2 GLN 20 2HB GLN 20 2.312 -0.718 5.996
146 HB3 GLN 20 1HB GLN 20 2.328 -2.098 7.086
147 HG2 GLN 20 2HG GLN 20 4.737 -2.114 7.097
148 HG3 GLN 20 1HG GLN 20 4.779 -0.813 5.908
149 HE21 GLN 20 1HE2 GLN 20 4.149 -1.648 9.223
150 HE22 GLN 20 2HE2 GLN 20 4.144 -0.030 9.833
151 H ARG 21 H ARG 21 0.409 -2.855 4.517
152 HA ARG 21 HA ARG 21 -0.087 -5.153 6.159
153 HB2 ARG 21 2HB ARG 21 -1.760 -3.349 5.728
154 HB3 ARG 21 1HB ARG 21 -1.864 -3.903 4.064
155 HG2 ARG 21 2HG ARG 21 -3.707 -4.845 5.143
156 HG3 ARG 21 1HG ARG 21 -2.537 -6.158 5.005
157 HD2 ARG 21 2HD ARG 21 -2.570 -4.479 7.477
158 HD3 ARG 21 1HD ARG 21 -3.800 -5.723 7.262
159 HE ARG 21 HE ARG 21 -0.923 -6.350 7.129
160 HH11 ARG 21 1HH1 ARG 21 -4.120 -6.941 8.440
161 HH12 ARG 21 2HH1 ARG 21 -3.632 -8.354 9.320
162 HH21 ARG 21 1HH2 ARG 21 -0.281 -8.192 8.272
163 HH22 ARG 21 2HH2 ARG 21 -1.434 -9.054 9.242
164 H LEU 22 H LEU 22 0.188 -4.550 2.675
165 HA LEU 22 HA LEU 22 -0.234 -7.358 2.078
166 HB2 LEU 22 2HB LEU 22 0.141 -4.888 0.431
167 HB3 LEU 22 1HB LEU 22 0.321 -6.467 -0.305
168 HG LEU 22 HG LEU 22 -2.168 -5.508 1.105
169 HD11 LEU 22 1HD1 LEU 22 -1.568 -5.752 -1.838
170 HD12 LEU 22 2HD1 LEU 22 -1.773 -4.249 -0.941
171 HD13 LEU 22 3HD1 LEU 22 -3.133 -5.351 -1.137
172 HD21 LEU 22 3HD2 LEU 22 -1.536 -7.999 -0.462
173 HD22 LEU 22 1HD2 LEU 22 -3.172 -7.490 -0.044
174 HD23 LEU 22 2HD2 LEU 22 -2.020 -7.887 1.230
175 H LEU 23 H LEU 23 2.338 -5.671 3.175
176 HA LEU 23 HA LEU 23 4.445 -6.405 1.504
177 HB2 LEU 23 2HB LEU 23 4.699 -4.755 3.276
178 HB3 LEU 23 1HB LEU 23 4.461 -5.990 4.492
179 HG LEU 23 HG LEU 23 6.563 -7.101 3.453
180 HD11 LEU 23 1HD1 LEU 23 8.129 -5.543 2.438
181 HD12 LEU 23 2HD1 LEU 23 6.911 -4.266 2.487
182 HD13 LEU 23 3HD1 LEU 23 6.665 -5.683 1.467
183 HD21 LEU 23 3HD2 LEU 23 6.735 -4.538 5.036
184 HD22 LEU 23 1HD2 LEU 23 8.020 -5.739 4.888
185 HD23 LEU 23 2HD2 LEU 23 6.507 -6.162 5.688
186 HA PRO 24 HA PRO 24 5.192 -10.376 4.183
187 HB2 PRO 24 2HB PRO 24 3.090 -11.252 5.696
188 HB3 PRO 24 1HB PRO 24 4.398 -10.242 6.329
189 HG2 PRO 24 2HG PRO 24 1.672 -9.435 5.379
190 HG3 PRO 24 1HG PRO 24 2.549 -8.908 6.827
191 HD2 PRO 24 2HD PRO 24 2.449 -7.373 4.638
192 HD3 PRO 24 1HD PRO 24 3.925 -7.472 5.624
193 H VAL 25 H VAL 25 2.146 -9.562 2.765
194 HA VAL 25 HA VAL 25 1.373 -12.231 2.084
195 HB VAL 25 HB VAL 25 0.427 -9.637 0.857
196 HG11 VAL 25 1HG1 VAL 25 -1.580 -10.915 0.267
197 HG12 VAL 25 2HG1 VAL 25 -0.844 -12.373 0.935
198 HG13 VAL 25 3HG1 VAL 25 -0.133 -11.594 -0.480
199 HG21 VAL 25 3HG2 VAL 25 0.100 -9.590 3.263
200 HG22 VAL 25 1HG2 VAL 25 -0.681 -11.169 3.209
201 HG23 VAL 25 2HG2 VAL 25 -1.447 -9.782 2.439
202 H LEU 26 H LEU 26 2.464 -9.470 0.106
203 HA LEU 26 HA LEU 26 2.831 -11.042 -2.224
204 HB2 LEU 26 2HB LEU 26 3.433 -8.255 -1.415
205 HB3 LEU 26 1HB LEU 26 4.306 -8.896 -2.794
206 HG LEU 26 HG LEU 26 2.366 -7.681 -3.558
207 HD11 LEU 26 1HD1 LEU 26 1.412 -9.300 -4.996
208 HD12 LEU 26 2HD1 LEU 26 1.739 -10.606 -3.860
209 HD13 LEU 26 3HD1 LEU 26 3.072 -9.813 -4.697
210 HD21 LEU 26 3HD2 LEU 26 0.986 -7.846 -1.564
211 HD22 LEU 26 1HD2 LEU 26 0.742 -9.567 -1.857
212 HD23 LEU 26 2HD2 LEU 26 0.096 -8.379 -2.988
213 H CYS 27 H CYS 27 4.961 -10.143 0.412
214 HA CYS 27 HA CYS 27 7.361 -10.903 -0.931
215 HB2 CYS 27 2HB CYS 27 6.725 -10.415 1.974
216 HB3 CYS 27 1HB CYS 27 8.332 -10.857 1.411
217 HG CYS 27 HG CYS 27 8.911 -8.577 0.142
218 H GLN 28 H GLN 28 4.908 -12.635 0.767
219 HA GLN 28 HA GLN 28 6.632 -14.965 1.115
220 HB2 GLN 28 2HB GLN 28 5.101 -14.303 2.940
221 HB3 GLN 28 1HB GLN 28 3.734 -14.571 1.874
222 HG2 GLN 28 2HG GLN 28 4.383 -16.948 1.695
223 HG3 GLN 28 1HG GLN 28 5.686 -16.648 2.844
224 HE21 GLN 28 1HE2 GLN 28 5.189 -16.262 4.995
225 HE22 GLN 28 2HE2 GLN 28 3.632 -16.616 5.666
226 H ALA 29 H ALA 29 3.706 -13.980 -0.619
227 HA ALA 29 HA ALA 29 3.199 -16.473 -1.839
228 HB1 ALA 29 3HB ALA 29 1.698 -15.256 -3.300
229 HB2 ALA 29 1HB ALA 29 2.417 -13.727 -2.792
230 HB3 ALA 29 2HB ALA 29 1.523 -14.711 -1.632
231 H HIS 30 H HIS 30 5.100 -13.683 -2.900
232 HA HIS 30 HA HIS 30 6.189 -15.396 -5.029
233 HB2 HIS 30 2HB HIS 30 4.552 -13.196 -5.480
234 HB3 HIS 30 1HB HIS 30 6.176 -12.585 -5.766
235 HD1 HIS 30 HD1 HIS 30 7.629 -14.194 -7.494
236 HD2 HIS 30 HD2 HIS 30 3.480 -14.441 -7.629
237 HE1 HIS 30 HE1 HIS 30 7.083 -15.235 -9.710
238 HE2 HIS 30 HE2 HIS 30 4.569 -15.300 -9.807
239 H GLY 31 H GLY 31 6.671 -12.532 -3.008
240 HA2 GLY 31 2HA GLY 31 8.643 -11.999 -1.862
241 HA3 GLY 31 1HA GLY 31 9.493 -13.206 -2.811
242 H LEU 32 H LEU 32 7.481 -10.646 -4.140
243 HA LEU 32 HA LEU 32 9.917 -9.429 -5.268
244 HB2 LEU 32 2HB LEU 32 7.191 -9.737 -6.524
245 HB3 LEU 32 1HB LEU 32 8.483 -8.767 -7.205
246 HG LEU 32 HG LEU 32 8.691 -11.737 -6.713
247 HD11 LEU 32 1HD1 LEU 32 8.064 -10.235 -9.252
248 HD12 LEU 32 2HD1 LEU 32 6.978 -11.316 -8.375
249 HD13 LEU 32 3HD1 LEU 32 8.429 -11.958 -9.149
250 HD21 LEU 32 3HD2 LEU 32 10.626 -11.547 -8.229
251 HD22 LEU 32 1HD2 LEU 32 10.840 -10.620 -6.745
252 HD23 LEU 32 2HD2 LEU 32 10.419 -9.799 -8.247
253 H THR 33 H THR 33 7.209 -8.946 -3.339
254 HA THR 33 HA THR 33 5.952 -7.148 -2.683
255 HB THR 33 HB THR 33 7.826 -7.211 -1.145
256 HG1 THR 33 HG1 THR 33 6.822 -5.570 -0.330
257 HG21 THR 33 3HG2 THR 33 9.170 -5.164 -2.909
258 HG22 THR 33 1HG2 THR 33 9.671 -6.846 -2.721
259 HG23 THR 33 2HG2 THR 33 9.748 -5.743 -1.347
260 HA PRO 34 HA PRO 34 6.289 -4.602 -6.567
261 HB2 PRO 34 2HB PRO 34 3.679 -4.871 -7.281
262 HB3 PRO 34 1HB PRO 34 4.932 -6.018 -7.761
263 HG2 PRO 34 2HG PRO 34 2.941 -6.212 -5.532
264 HG3 PRO 34 1HG PRO 34 3.458 -7.460 -6.682
265 HD2 PRO 34 2HD PRO 34 4.411 -7.328 -4.154
266 HD3 PRO 34 1HD PRO 34 5.392 -7.913 -5.512
267 H GLU 35 H GLU 35 4.349 -4.611 -3.713
268 HA GLU 35 HA GLU 35 2.903 -2.229 -4.076
269 HB2 GLU 35 2HB GLU 35 3.903 -3.574 -1.563
270 HB3 GLU 35 1HB GLU 35 2.822 -2.186 -1.561
271 HG2 GLU 35 2HG GLU 35 2.199 -4.799 -2.909
272 HG3 GLU 35 1HG GLU 35 1.704 -4.389 -1.267
273 H GLN 36 H GLN 36 6.178 -2.869 -2.984
274 HA GLN 36 HA GLN 36 6.662 -0.130 -2.231
275 HB2 GLN 36 2HB GLN 36 8.549 -2.460 -2.583
276 HB3 GLN 36 1HB GLN 36 9.010 -0.888 -1.946
277 HG2 GLN 36 2HG GLN 36 7.213 -1.275 -0.174
278 HG3 GLN 36 1HG GLN 36 7.225 -2.953 -0.715
279 HE21 GLN 36 1HE2 GLN 36 9.059 -4.207 -0.377
280 HE22 GLN 36 2HE2 GLN 36 10.279 -3.756 0.765
281 H VAL 37 H VAL 37 6.188 -1.495 -5.106
282 HA VAL 37 HA VAL 37 8.237 0.086 -6.497
283 HB VAL 37 HB VAL 37 6.492 -2.120 -7.609
284 HG11 VAL 37 1HG1 VAL 37 7.147 -0.504 -9.306
285 HG12 VAL 37 2HG1 VAL 37 8.001 -2.028 -9.544
286 HG13 VAL 37 3HG1 VAL 37 8.836 -0.654 -8.820
287 HG21 VAL 37 3HG2 VAL 37 8.124 -2.948 -5.970
288 HG22 VAL 37 1HG2 VAL 37 9.419 -2.195 -6.894
289 HG23 VAL 37 2HG2 VAL 37 8.481 -3.506 -7.603
290 H VAL 38 H VAL 38 4.755 -0.757 -6.689
291 HA VAL 38 HA VAL 38 4.374 1.648 -8.308
292 HB VAL 38 HB VAL 38 3.429 -0.338 -9.274
293 HG11 VAL 38 1HG1 VAL 38 3.074 -1.636 -7.237
294 HG12 VAL 38 2HG1 VAL 38 1.624 -1.594 -8.241
295 HG13 VAL 38 3HG1 VAL 38 1.728 -0.585 -6.799
296 HG21 VAL 38 3HG2 VAL 38 1.121 0.401 -9.619
297 HG22 VAL 38 1HG2 VAL 38 2.253 1.752 -9.672
298 HG23 VAL 38 2HG2 VAL 38 1.264 1.487 -8.238
299 H ALA 39 H ALA 39 2.952 0.168 -5.364
300 HA ALA 39 HA ALA 39 1.145 2.244 -4.833
301 HB1 ALA 39 3HB ALA 39 1.018 0.050 -3.753
302 HB2 ALA 39 1HB ALA 39 1.008 1.361 -2.573
303 HB3 ALA 39 2HB ALA 39 2.478 0.422 -2.837
304 H ILE 40 H ILE 40 4.420 1.724 -3.517
305 HA ILE 40 HA ILE 40 4.526 4.067 -1.975
306 HB ILE 40 HB ILE 40 6.741 2.472 -3.271
307 HG12 ILE 40 2HG1 ILE 40 5.438 1.343 -1.498
308 HG13 ILE 40 1HG1 ILE 40 7.106 1.616 -1.015
309 HG21 ILE 40 1HG2 ILE 40 7.528 4.749 -2.965
310 HG22 ILE 40 2HG2 ILE 40 8.308 3.668 -1.813
311 HG23 ILE 40 3HG2 ILE 40 6.999 4.727 -1.283
312 HD11 ILE 40 3HD1 ILE 40 6.278 3.679 0.184
313 HD12 ILE 40 1HD1 ILE 40 5.791 2.125 0.855
314 HD13 ILE 40 2HD1 ILE 40 4.650 3.066 -0.102
315 H ALA 41 H ALA 41 5.412 3.446 -5.344
316 HA ALA 41 HA ALA 41 6.499 5.972 -5.907
317 HB1 ALA 41 3HB ALA 41 5.100 4.132 -7.834
318 HB2 ALA 41 1HB ALA 41 6.782 3.975 -7.333
319 HB3 ALA 41 2HB ALA 41 6.259 5.400 -8.232
320 H SER 42 H SER 42 3.191 4.748 -6.073
321 HA SER 42 HA SER 42 2.056 6.986 -7.343
322 HB2 SER 42 2HB SER 42 0.735 5.074 -5.404
323 HB3 SER 42 1HB SER 42 -0.091 6.119 -6.556
324 HG SER 42 HG SER 42 1.776 4.109 -7.305
325 H HIS 43 H HIS 43 2.685 6.262 -3.940
326 HA HIS 43 HA HIS 43 1.285 8.549 -2.951
327 HB2 HIS 43 2HB HIS 43 1.705 6.568 -1.541
328 HB3 HIS 43 1HB HIS 43 3.432 6.891 -1.607
329 HD1 HIS 43 HD1 HIS 43 0.233 8.302 -0.155
330 HD2 HIS 43 HD2 HIS 43 4.356 8.758 0.194
331 HE1 HIS 43 HE1 HIS 43 0.582 9.825 1.815
332 HE2 HIS 43 HE2 HIS 43 3.080 10.018 2.065
333 H ASP 44 H ASP 44 4.639 7.837 -3.740
334 HA ASP 44 HA ASP 44 5.684 10.320 -2.812
335 HB2 ASP 44 2HB ASP 44 7.153 8.423 -2.988
336 HB3 ASP 44 1HB ASP 44 6.781 8.227 -4.699
337 H GLY 45 H GLY 45 5.234 9.053 -6.111
338 HA2 GLY 45 2HA GLY 45 5.045 11.843 -7.049
339 HA3 GLY 45 1HA GLY 45 5.673 10.515 -8.017
340 H GLY 46 H GLY 46 2.969 12.335 -7.216
341 HA2 GLY 46 2HA GLY 46 1.199 11.951 -9.008
342 HA3 GLY 46 1HA GLY 46 1.136 10.324 -8.341
343 H LYS 47 H LYS 47 0.867 10.317 -5.861
344 HA LYS 47 HA LYS 47 -1.619 11.510 -5.258
345 HB2 LYS 47 2HB LYS 47 -0.380 9.416 -4.237
346 HB3 LYS 47 1HB LYS 47 0.233 10.594 -3.088
347 HG2 LYS 47 2HG LYS 47 -2.702 10.391 -3.615
348 HG3 LYS 47 1HG LYS 47 -1.906 9.255 -2.527
349 HD2 LYS 47 2HD LYS 47 -1.083 11.137 -1.184
350 HD3 LYS 47 1HD LYS 47 -1.894 12.263 -2.274
351 HE2 LYS 47 2HE LYS 47 -4.037 11.005 -1.707
352 HE3 LYS 47 1HE LYS 47 -3.125 10.265 -0.393
353 HZ1 LYS 47 3HZ LYS 47 -3.707 13.153 -0.777
354 HZ2 LYS 47 1HZ LYS 47 -2.622 12.561 0.384
355 HZ3 LYS 47 2HZ LYS 47 -4.258 12.147 0.467
356 H GLN 48 H GLN 48 1.684 12.494 -4.705
357 HA GLN 48 HA GLN 48 1.178 14.484 -2.765
358 HB2 GLN 48 2HB GLN 48 3.424 13.431 -3.465
359 HB3 GLN 48 1HB GLN 48 3.421 14.608 -4.766
360 HG2 GLN 48 2HG GLN 48 2.940 15.707 -2.087
361 HG3 GLN 48 1HG GLN 48 4.534 15.003 -2.343
362 HE21 GLN 48 1HE2 GLN 48 2.347 17.539 -3.222
363 HE22 GLN 48 2HE2 GLN 48 3.494 18.508 -4.079
364 H ALA 49 H ALA 49 1.110 14.484 -6.281
365 HA ALA 49 HA ALA 49 0.800 17.327 -6.510
366 HB1 ALA 49 3HB ALA 49 0.350 15.133 -8.529
367 HB2 ALA 49 1HB ALA 49 1.820 16.080 -8.315
368 HB3 ALA 49 2HB ALA 49 0.344 16.860 -8.883
369 H LEU 50 H LEU 50 -1.286 14.762 -5.748
370 HA LEU 50 HA LEU 50 -3.671 16.210 -6.641
371 HB2 LEU 50 2HB LEU 50 -3.069 13.399 -5.916
372 HB3 LEU 50 1HB LEU 50 -4.662 13.981 -5.482
373 HG LEU 50 HG LEU 50 -4.757 12.848 -7.608
374 HD11 LEU 50 1HD1 LEU 50 -5.855 14.513 -8.914
375 HD12 LEU 50 2HD1 LEU 50 -4.980 15.810 -8.100
376 HD13 LEU 50 3HD1 LEU 50 -6.171 14.858 -7.214
377 HD21 LEU 50 3HD2 LEU 50 -2.463 13.104 -8.318
378 HD22 LEU 50 1HD2 LEU 50 -2.687 14.841 -8.519
379 HD23 LEU 50 2HD2 LEU 50 -3.546 13.712 -9.565
380 H GLU 51 H GLU 51 -2.035 15.087 -3.765
381 HA GLU 51 HA GLU 51 -2.225 15.571 -1.573
382 HB2 GLU 51 2HB GLU 51 -3.561 17.978 -2.775
383 HB3 GLU 51 1HB GLU 51 -3.497 17.766 -1.032
384 HG2 GLU 51 2HG GLU 51 -1.010 17.590 -2.677
385 HG3 GLU 51 1HG GLU 51 -1.667 19.153 -2.200
Start of MODEL 10
1 H1 GLU 1 1HT GLU 1 -15.747 -4.451 2.604
2 H2 GLU 1 2HT GLU 1 -15.068 -5.856 3.254
3 H3 GLU 1 3HT GLU 1 -14.575 -5.306 1.735
4 HA GLU 1 HA GLU 1 -13.509 -3.428 2.627
5 HB2 GLU 1 2HB GLU 1 -14.677 -4.316 5.275
6 HB3 GLU 1 1HB GLU 1 -13.509 -3.014 5.076
7 HG2 GLU 1 2HG GLU 1 -16.357 -3.117 4.145
8 HG3 GLU 1 1HG GLU 1 -15.608 -1.980 5.265
9 H GLN 2 H GLN 2 -11.437 -3.454 3.820
10 HA GLN 2 HA GLN 2 -10.511 -6.067 4.681
11 HB2 GLN 2 2HB GLN 2 -8.502 -5.890 3.144
12 HB3 GLN 2 1HB GLN 2 -10.021 -6.313 2.372
13 HG2 GLN 2 2HG GLN 2 -9.542 -3.448 2.432
14 HG3 GLN 2 1HG GLN 2 -8.290 -4.343 1.574
15 HE21 GLN 2 1HE2 GLN 2 -8.938 -3.426 -0.381
16 HE22 GLN 2 2HE2 GLN 2 -10.375 -3.937 -1.199
17 H VAL 3 H VAL 3 -8.580 -5.964 5.924
18 HA VAL 3 HA VAL 3 -8.290 -3.630 7.452
19 HB VAL 3 HB VAL 3 -6.259 -4.676 8.405
20 HG11 VAL 3 1HG1 VAL 3 -8.463 -5.214 9.288
21 HG12 VAL 3 2HG1 VAL 3 -7.379 -6.600 9.395
22 HG13 VAL 3 3HG1 VAL 3 -8.608 -6.536 8.135
23 HG21 VAL 3 3HG2 VAL 3 -6.779 -6.885 6.425
24 HG22 VAL 3 1HG2 VAL 3 -5.569 -6.895 7.705
25 HG23 VAL 3 2HG2 VAL 3 -5.427 -5.759 6.366
26 H VAL 4 H VAL 4 -6.620 -4.703 4.571
27 HA VAL 4 HA VAL 4 -4.450 -2.871 4.773
28 HB VAL 4 HB VAL 4 -3.959 -3.408 2.444
29 HG11 VAL 4 1HG1 VAL 4 -3.669 -5.848 2.695
30 HG12 VAL 4 2HG1 VAL 4 -4.716 -5.799 4.114
31 HG13 VAL 4 3HG1 VAL 4 -3.174 -4.942 4.124
32 HG21 VAL 4 3HG2 VAL 4 -6.520 -5.000 2.476
33 HG22 VAL 4 1HG2 VAL 4 -5.352 -4.931 1.157
34 HG23 VAL 4 2HG2 VAL 4 -6.264 -3.489 1.604
35 H ALA 5 H ALA 5 -7.666 -2.302 4.269
36 HA ALA 5 HA ALA 5 -7.089 0.156 2.753
37 HB1 ALA 5 3HB ALA 5 -9.415 0.104 1.958
38 HB2 ALA 5 1HB ALA 5 -9.653 -1.434 2.789
39 HB3 ALA 5 2HB ALA 5 -8.510 -1.323 1.450
40 H ILE 6 H ILE 6 -9.059 -1.297 5.324
41 HA ILE 6 HA ILE 6 -10.252 1.071 6.254
42 HB ILE 6 HB ILE 6 -9.547 -1.425 7.810
43 HG12 ILE 6 2HG1 ILE 6 -12.218 -0.626 6.638
44 HG13 ILE 6 1HG1 ILE 6 -11.081 -1.690 5.815
45 HG21 ILE 6 1HG2 ILE 6 -11.466 0.797 8.505
46 HG22 ILE 6 2HG2 ILE 6 -9.922 0.476 9.291
47 HG23 ILE 6 3HG2 ILE 6 -11.235 -0.692 9.417
48 HD11 ILE 6 3HD1 ILE 6 -12.358 -2.208 8.492
49 HD12 ILE 6 1HD1 ILE 6 -11.232 -3.281 7.659
50 HD13 ILE 6 2HD1 ILE 6 -12.818 -2.949 6.960
51 H ALA 7 H ALA 7 -7.328 -0.629 7.375
52 HA ALA 7 HA ALA 7 -6.617 1.166 9.399
53 HB1 ALA 7 3HB ALA 7 -4.366 0.195 9.210
54 HB2 ALA 7 1HB ALA 7 -4.844 -0.587 7.705
55 HB3 ALA 7 2HB ALA 7 -5.625 -1.038 9.220
56 H SER 8 H SER 8 -5.808 1.106 5.975
57 HA SER 8 HA SER 8 -4.036 3.314 6.045
58 HB2 SER 8 2HB SER 8 -5.540 2.499 3.579
59 HB3 SER 8 1HB SER 8 -3.862 3.016 3.748
60 HG SER 8 HG SER 8 -4.631 0.577 3.562
61 H ASN 9 H ASN 9 -7.495 3.009 5.689
62 HA ASN 9 HA ASN 9 -7.988 5.618 4.660
63 HB2 ASN 9 2HB ASN 9 -9.595 3.681 4.550
64 HB3 ASN 9 1HB ASN 9 -9.882 3.895 6.274
65 HD21 ASN 9 1HD2 ASN 9 -11.969 4.525 6.229
66 HD22 ASN 9 2HD2 ASN 9 -12.531 5.965 5.458
67 H ILE 10 H ILE 10 -7.947 4.218 7.899
68 HA ILE 10 HA ILE 10 -8.632 6.714 9.166
69 HB ILE 10 HB ILE 10 -7.990 3.959 10.128
70 HG12 ILE 10 2HG1 ILE 10 -10.101 4.522 11.499
71 HG13 ILE 10 1HG1 ILE 10 -10.246 5.921 10.445
72 HG21 ILE 10 1HG2 ILE 10 -8.028 4.732 12.470
73 HG22 ILE 10 2HG2 ILE 10 -7.957 6.399 11.896
74 HG23 ILE 10 3HG2 ILE 10 -6.615 5.300 11.580
75 HD11 ILE 10 3HD1 ILE 10 -10.343 4.427 8.504
76 HD12 ILE 10 1HD1 ILE 10 -11.637 4.110 9.659
77 HD13 ILE 10 2HD1 ILE 10 -10.239 3.037 9.585
78 H GLY 11 H GLY 11 -5.715 4.816 8.585
79 HA2 GLY 11 2HA GLY 11 -3.985 6.402 10.180
80 HA3 GLY 11 1HA GLY 11 -3.490 5.301 8.903
81 H GLY 12 H GLY 12 -5.238 6.774 6.963
82 HA2 GLY 12 2HA GLY 12 -5.272 8.880 5.873
83 HA3 GLY 12 1HA GLY 12 -3.840 9.343 6.782
84 H LYS 13 H LYS 13 -2.539 6.741 6.183
85 HA LYS 13 HA LYS 13 -1.490 7.531 3.581
86 HB2 LYS 13 2HB LYS 13 -0.443 5.233 5.204
87 HB3 LYS 13 1HB LYS 13 0.417 6.280 4.084
88 HG2 LYS 13 2HG LYS 13 0.327 8.108 5.668
89 HG3 LYS 13 1HG LYS 13 -0.626 7.125 6.779
90 HD2 LYS 13 2HD LYS 13 1.401 5.474 6.554
91 HD3 LYS 13 1HD LYS 13 2.264 6.934 6.075
92 HE2 LYS 13 2HE LYS 13 2.513 6.560 8.457
93 HE3 LYS 13 1HE LYS 13 1.561 8.017 8.167
94 HZ1 LYS 13 3HZ LYS 13 0.652 6.575 9.927
95 HZ2 LYS 13 1HZ LYS 13 0.402 5.348 8.785
96 HZ3 LYS 13 2HZ LYS 13 -0.433 6.815 8.659
97 H GLN 14 H GLN 14 -3.203 6.854 2.243
98 HA GLN 14 HA GLN 14 -4.209 4.185 2.297
99 HB2 GLN 14 2HB GLN 14 -5.389 4.782 0.242
100 HB3 GLN 14 1HB GLN 14 -5.572 6.022 1.472
101 HG2 GLN 14 2HG GLN 14 -3.797 7.331 0.357
102 HG3 GLN 14 1HG GLN 14 -3.749 6.113 -0.917
103 HE21 GLN 14 1HE2 GLN 14 -6.650 7.205 0.712
104 HE22 GLN 14 2HE2 GLN 14 -7.354 7.993 -0.654
105 H ALA 15 H ALA 15 -1.235 4.810 1.770
106 HA ALA 15 HA ALA 15 -0.936 2.783 -0.322
107 HB1 ALA 15 3HB ALA 15 0.681 5.331 -0.244
108 HB2 ALA 15 1HB ALA 15 -0.615 4.980 -1.387
109 HB3 ALA 15 2HB ALA 15 0.856 4.007 -1.397
110 H LEU 16 H LEU 16 0.744 4.735 2.141
111 HA LEU 16 HA LEU 16 2.849 2.829 2.440
112 HB2 LEU 16 2HB LEU 16 2.046 5.275 3.975
113 HB3 LEU 16 1HB LEU 16 3.342 4.235 4.531
114 HG LEU 16 HG LEU 16 3.353 5.439 1.778
115 HD11 LEU 16 1HD1 LEU 16 4.474 6.609 4.322
116 HD12 LEU 16 2HD1 LEU 16 3.184 7.288 3.328
117 HD13 LEU 16 3HD1 LEU 16 4.828 7.190 2.693
118 HD21 LEU 16 3HD2 LEU 16 5.750 5.046 1.948
119 HD22 LEU 16 1HD2 LEU 16 4.848 3.549 2.187
120 HD23 LEU 16 2HD2 LEU 16 5.539 4.394 3.574
121 H GLU 17 H GLU 17 -0.237 3.331 4.036
122 HA GLU 17 HA GLU 17 0.379 1.657 6.280
123 HB2 GLU 17 2HB GLU 17 -1.708 3.397 5.564
124 HB3 GLU 17 1HB GLU 17 -2.446 1.808 5.700
125 HG2 GLU 17 2HG GLU 17 -2.677 2.557 7.832
126 HG3 GLU 17 1HG GLU 17 -1.125 1.727 7.959
127 H THR 18 H THR 18 -1.075 1.185 3.122
128 HA THR 18 HA THR 18 -1.955 -1.476 3.697
129 HB THR 18 HB THR 18 -3.041 0.063 2.015
130 HG1 THR 18 HG1 THR 18 -3.888 -1.769 1.473
131 HG21 THR 18 3HG2 THR 18 -0.755 -0.828 0.260
132 HG22 THR 18 1HG2 THR 18 -1.038 0.816 0.833
133 HG23 THR 18 2HG2 THR 18 -2.187 0.055 -0.268
134 H VAL 19 H VAL 19 0.865 -0.056 2.082
135 HA VAL 19 HA VAL 19 1.879 -2.481 1.049
136 HB VAL 19 HB VAL 19 2.623 -0.210 0.316
137 HG11 VAL 19 1HG1 VAL 19 4.347 0.963 1.555
138 HG12 VAL 19 2HG1 VAL 19 4.272 -0.243 2.838
139 HG13 VAL 19 3HG1 VAL 19 2.886 0.802 2.531
140 HG21 VAL 19 3HG2 VAL 19 3.879 -2.174 -0.336
141 HG22 VAL 19 1HG2 VAL 19 4.799 -2.115 1.166
142 HG23 VAL 19 2HG2 VAL 19 4.977 -0.830 -0.030
143 H GLN 20 H GLN 20 2.013 -1.026 4.194
144 HA GLN 20 HA GLN 20 4.194 -2.481 5.242
145 HB2 GLN 20 2HB GLN 20 3.273 -0.432 6.263
146 HB3 GLN 20 1HB GLN 20 1.807 -1.306 6.679
147 HG2 GLN 20 2HG GLN 20 3.152 -1.140 8.631
148 HG3 GLN 20 1HG GLN 20 3.180 -2.817 8.094
149 HE21 GLN 20 1HE2 GLN 20 5.051 -1.218 9.744
150 HE22 GLN 20 2HE2 GLN 20 6.593 -1.392 8.980
151 H ARG 21 H ARG 21 0.836 -3.279 4.751
152 HA ARG 21 HA ARG 21 1.111 -5.697 6.371
153 HB2 ARG 21 2HB ARG 21 -0.910 -4.407 6.733
154 HB3 ARG 21 1HB ARG 21 -1.294 -4.470 5.021
155 HG2 ARG 21 2HG ARG 21 -2.667 -6.117 5.781
156 HG3 ARG 21 1HG ARG 21 -1.224 -7.072 5.444
157 HD2 ARG 21 2HD ARG 21 -2.184 -6.054 8.111
158 HD3 ARG 21 1HD ARG 21 -2.041 -7.729 7.585
159 HE ARG 21 HE ARG 21 0.130 -5.951 8.398
160 HH11 ARG 21 1HH1 ARG 21 -0.878 -9.109 7.255
161 HH12 ARG 21 2HH1 ARG 21 0.607 -9.881 7.712
162 HH21 ARG 21 1HH2 ARG 21 2.079 -6.968 8.986
163 HH22 ARG 21 2HH2 ARG 21 2.286 -8.667 8.692
164 H LEU 22 H LEU 22 0.697 -4.654 3.044
165 HA LEU 22 HA LEU 22 0.211 -7.274 2.020
166 HB2 LEU 22 2HB LEU 22 1.022 -4.697 0.694
167 HB3 LEU 22 1HB LEU 22 0.710 -6.176 -0.193
168 HG LEU 22 HG LEU 22 -1.327 -4.769 1.544
169 HD11 LEU 22 1HD1 LEU 22 -1.059 -4.802 -1.457
170 HD12 LEU 22 2HD1 LEU 22 -0.697 -3.430 -0.412
171 HD13 LEU 22 3HD1 LEU 22 -2.349 -4.038 -0.530
172 HD21 LEU 22 3HD2 LEU 22 -1.547 -7.086 -0.375
173 HD22 LEU 22 1HD2 LEU 22 -2.915 -6.252 0.362
174 HD23 LEU 22 2HD2 LEU 22 -1.771 -7.133 1.375
175 H LEU 23 H LEU 23 3.078 -5.364 2.617
176 HA LEU 23 HA LEU 23 4.932 -6.578 0.982
177 HB2 LEU 23 2HB LEU 23 5.472 -4.623 2.264
178 HB3 LEU 23 1HB LEU 23 5.276 -5.494 3.771
179 HG LEU 23 HG LEU 23 7.230 -6.956 2.978
180 HD11 LEU 23 1HD1 LEU 23 8.764 -5.893 1.409
181 HD12 LEU 23 2HD1 LEU 23 7.599 -4.598 1.136
182 HD13 LEU 23 3HD1 LEU 23 7.216 -6.247 0.643
183 HD21 LEU 23 3HD2 LEU 23 7.707 -4.048 3.612
184 HD22 LEU 23 1HD2 LEU 23 8.864 -5.363 3.828
185 HD23 LEU 23 2HD2 LEU 23 7.384 -5.323 4.787
186 HA PRO 24 HA PRO 24 5.974 -9.963 4.259
187 HB2 PRO 24 2HB PRO 24 4.188 -10.439 6.252
188 HB3 PRO 24 1HB PRO 24 5.544 -9.318 6.414
189 HG2 PRO 24 2HG PRO 24 2.674 -8.740 5.792
190 HG3 PRO 24 1HG PRO 24 3.769 -7.901 6.912
191 HD2 PRO 24 2HD PRO 24 3.226 -6.932 4.455
192 HD3 PRO 24 1HD PRO 24 4.821 -6.742 5.212
193 H VAL 25 H VAL 25 3.002 -9.401 2.765
194 HA VAL 25 HA VAL 25 2.192 -12.214 2.897
195 HB VAL 25 HB VAL 25 0.758 -9.825 1.718
196 HG11 VAL 25 1HG1 VAL 25 0.200 -11.894 0.529
197 HG12 VAL 25 2HG1 VAL 25 -1.166 -11.294 1.470
198 HG13 VAL 25 3HG1 VAL 25 -0.219 -12.659 2.062
199 HG21 VAL 25 3HG2 VAL 25 0.227 -11.408 4.230
200 HG22 VAL 25 1HG2 VAL 25 -0.772 -10.093 3.609
201 HG23 VAL 25 2HG2 VAL 25 0.876 -9.770 4.150
202 H LEU 26 H LEU 26 2.704 -9.672 0.445
203 HA LEU 26 HA LEU 26 2.635 -11.490 -1.737
204 HB2 LEU 26 2HB LEU 26 3.110 -8.631 -1.346
205 HB3 LEU 26 1HB LEU 26 4.025 -9.320 -2.674
206 HG LEU 26 HG LEU 26 1.888 -8.355 -3.412
207 HD11 LEU 26 1HD1 LEU 26 1.120 -10.263 -4.722
208 HD12 LEU 26 2HD1 LEU 26 2.015 -11.353 -3.665
209 HD13 LEU 26 3HD1 LEU 26 2.882 -10.190 -4.666
210 HD21 LEU 26 3HD2 LEU 26 0.545 -8.716 -1.441
211 HD22 LEU 26 1HD2 LEU 26 0.674 -10.464 -1.635
212 HD23 LEU 26 2HD2 LEU 26 -0.216 -9.511 -2.821
213 H CYS 27 H CYS 27 5.210 -10.322 0.338
214 HA CYS 27 HA CYS 27 7.309 -11.270 -1.355
215 HB2 CYS 27 2HB CYS 27 7.227 -10.385 1.518
216 HB3 CYS 27 1HB CYS 27 8.691 -11.042 0.794
217 HG CYS 27 HG CYS 27 7.543 -7.993 0.672
218 H GLN 28 H GLN 28 5.318 -12.644 1.125
219 HA GLN 28 HA GLN 28 6.953 -14.969 1.532
220 HB2 GLN 28 2HB GLN 28 5.334 -14.022 3.231
221 HB3 GLN 28 1HB GLN 28 4.027 -14.624 2.219
222 HG2 GLN 28 2HG GLN 28 4.446 -16.166 4.014
223 HG3 GLN 28 1HG GLN 28 4.902 -16.905 2.479
224 HE21 GLN 28 1HE2 GLN 28 6.321 -18.347 3.382
225 HE22 GLN 28 2HE2 GLN 28 7.822 -17.879 4.106
226 H ALA 29 H ALA 29 4.056 -14.163 -0.313
227 HA ALA 29 HA ALA 29 3.692 -16.808 -1.334
228 HB1 ALA 29 3HB ALA 29 1.835 -15.224 -1.057
229 HB2 ALA 29 1HB ALA 29 1.953 -15.839 -2.705
230 HB3 ALA 29 2HB ALA 29 2.523 -14.213 -2.326
231 H HIS 30 H HIS 30 4.927 -13.773 -2.741
232 HA HIS 30 HA HIS 30 6.006 -15.368 -4.971
233 HB2 HIS 30 2HB HIS 30 5.080 -12.511 -4.825
234 HB3 HIS 30 1HB HIS 30 6.195 -13.028 -6.081
235 HD1 HIS 30 HD1 HIS 30 4.663 -12.860 -8.077
236 HD2 HIS 30 HD2 HIS 30 3.038 -15.114 -4.984
237 HE1 HIS 30 HE1 HIS 30 2.574 -13.894 -9.016
238 HE2 HIS 30 HE2 HIS 30 1.504 -15.067 -7.063
239 H GLY 31 H GLY 31 6.784 -12.313 -3.285
240 HA2 GLY 31 2HA GLY 31 8.858 -12.115 -2.041
241 HA3 GLY 31 1HA GLY 31 9.584 -13.233 -3.180
242 H LEU 32 H LEU 32 7.574 -10.963 -4.703
243 HA LEU 32 HA LEU 32 9.947 -9.389 -5.461
244 HB2 LEU 32 2HB LEU 32 7.443 -9.875 -7.072
245 HB3 LEU 32 1HB LEU 32 8.848 -8.972 -7.597
246 HG LEU 32 HG LEU 32 8.942 -11.903 -6.899
247 HD11 LEU 32 1HD1 LEU 32 8.620 -10.591 -9.593
248 HD12 LEU 32 2HD1 LEU 32 7.438 -11.607 -8.768
249 HD13 LEU 32 3HD1 LEU 32 8.961 -12.300 -9.323
250 HD21 LEU 32 3HD2 LEU 32 11.050 -11.825 -8.164
251 HD22 LEU 32 1HD2 LEU 32 11.082 -10.759 -6.761
252 HD23 LEU 32 2HD2 LEU 32 10.850 -10.085 -8.374
253 H THR 33 H THR 33 7.143 -9.237 -3.744
254 HA THR 33 HA THR 33 5.604 -7.644 -3.183
255 HB THR 33 HB THR 33 7.334 -7.387 -1.542
256 HG1 THR 33 HG1 THR 33 5.556 -5.858 -1.595
257 HG21 THR 33 3HG2 THR 33 9.261 -6.932 -2.948
258 HG22 THR 33 1HG2 THR 33 9.090 -5.678 -1.720
259 HG23 THR 33 2HG2 THR 33 8.597 -5.358 -3.385
260 HA PRO 34 HA PRO 34 5.421 -5.121 -7.003
261 HB2 PRO 34 2HB PRO 34 2.722 -5.354 -7.281
262 HB3 PRO 34 1HB PRO 34 3.866 -6.542 -7.915
263 HG2 PRO 34 2HG PRO 34 2.229 -6.621 -5.416
264 HG3 PRO 34 1HG PRO 34 2.584 -7.923 -6.566
265 HD2 PRO 34 2HD PRO 34 3.874 -7.660 -4.192
266 HD3 PRO 34 1HD PRO 34 4.641 -8.359 -5.629
267 H GLU 35 H GLU 35 3.535 -5.049 -4.039
268 HA GLU 35 HA GLU 35 2.402 -2.482 -4.393
269 HB2 GLU 35 2HB GLU 35 2.038 -2.543 -1.923
270 HB3 GLU 35 1HB GLU 35 1.410 -3.941 -2.784
271 HG2 GLU 35 2HG GLU 35 4.107 -3.996 -1.477
272 HG3 GLU 35 1HG GLU 35 2.632 -4.322 -0.569
273 H GLN 36 H GLN 36 5.530 -3.546 -3.265
274 HA GLN 36 HA GLN 36 6.268 -1.100 -2.009
275 HB2 GLN 36 2HB GLN 36 7.366 -3.382 -1.703
276 HB3 GLN 36 1HB GLN 36 8.168 -3.092 -3.241
277 HG2 GLN 36 2HG GLN 36 8.774 -0.811 -1.956
278 HG3 GLN 36 1HG GLN 36 8.663 -1.920 -0.591
279 HE21 GLN 36 1HE2 GLN 36 10.333 -1.168 -3.547
280 HE22 GLN 36 2HE2 GLN 36 11.705 -2.180 -3.262
281 H VAL 37 H VAL 37 5.677 -1.840 -5.186
282 HA VAL 37 HA VAL 37 7.508 0.244 -6.163
283 HB VAL 37 HB VAL 37 6.106 -1.897 -7.774
284 HG11 VAL 37 1HG1 VAL 37 6.537 0.121 -9.060
285 HG12 VAL 37 2HG1 VAL 37 7.598 -1.185 -9.585
286 HG13 VAL 37 3HG1 VAL 37 8.226 0.099 -8.554
287 HG21 VAL 37 3HG2 VAL 37 7.784 -2.893 -6.333
288 HG22 VAL 37 1HG2 VAL 37 8.980 -1.714 -6.872
289 HG23 VAL 37 2HG2 VAL 37 8.341 -2.904 -8.007
290 H VAL 38 H VAL 38 4.287 -1.093 -6.940
291 HA VAL 38 HA VAL 38 3.439 1.255 -8.273
292 HB VAL 38 HB VAL 38 2.492 -0.911 -8.824
293 HG11 VAL 38 1HG1 VAL 38 2.441 -1.953 -6.644
294 HG12 VAL 38 2HG1 VAL 38 0.832 -1.984 -7.365
295 HG13 VAL 38 3HG1 VAL 38 1.209 -0.815 -6.102
296 HG21 VAL 38 3HG2 VAL 38 0.104 -0.263 -8.880
297 HG22 VAL 38 1HG2 VAL 38 1.190 1.025 -9.400
298 HG23 VAL 38 2HG2 VAL 38 0.477 1.069 -7.786
299 H ALA 39 H ALA 39 2.706 0.064 -4.977
300 HA ALA 39 HA ALA 39 0.889 2.164 -4.395
301 HB1 ALA 39 3HB ALA 39 0.893 0.050 -3.155
302 HB2 ALA 39 1HB ALA 39 1.047 1.437 -2.080
303 HB3 ALA 39 2HB ALA 39 2.462 0.461 -2.468
304 H ILE 40 H ILE 40 4.333 1.710 -3.762
305 HA ILE 40 HA ILE 40 4.700 4.074 -2.268
306 HB ILE 40 HB ILE 40 6.703 2.540 -3.936
307 HG12 ILE 40 2HG1 ILE 40 5.733 1.160 -2.189
308 HG13 ILE 40 1HG1 ILE 40 7.385 1.579 -1.751
309 HG21 ILE 40 1HG2 ILE 40 8.422 3.654 -2.599
310 HG22 ILE 40 2HG2 ILE 40 7.177 4.598 -1.779
311 HG23 ILE 40 3HG2 ILE 40 7.460 4.824 -3.505
312 HD11 ILE 40 3HD1 ILE 40 4.851 2.760 -0.638
313 HD12 ILE 40 1HD1 ILE 40 6.472 3.367 -0.288
314 HD13 ILE 40 2HD1 ILE 40 6.020 1.730 0.192
315 H ALA 41 H ALA 41 5.145 3.368 -5.726
316 HA ALA 41 HA ALA 41 6.050 5.920 -6.473
317 HB1 ALA 41 3HB ALA 41 6.289 3.940 -7.891
318 HB2 ALA 41 1HB ALA 41 5.518 5.275 -8.749
319 HB3 ALA 41 2HB ALA 41 4.546 3.926 -8.156
320 H SER 42 H SER 42 2.779 4.611 -6.151
321 HA SER 42 HA SER 42 1.429 6.746 -7.396
322 HB2 SER 42 2HB SER 42 0.491 4.845 -5.234
323 HB3 SER 42 1HB SER 42 -0.564 5.932 -6.142
324 HG SER 42 HG SER 42 0.962 3.743 -7.107
325 H HIS 43 H HIS 43 2.493 6.245 -4.058
326 HA HIS 43 HA HIS 43 1.260 8.663 -3.122
327 HB2 HIS 43 2HB HIS 43 1.544 7.049 -1.430
328 HB3 HIS 43 1HB HIS 43 3.203 6.713 -1.906
329 HD1 HIS 43 HD1 HIS 43 1.198 9.561 -0.314
330 HD2 HIS 43 HD2 HIS 43 5.052 7.973 -0.401
331 HE1 HIS 43 HE1 HIS 43 2.522 10.871 1.371
332 HE2 HIS 43 HE2 HIS 43 4.808 9.811 1.396
333 H ASP 44 H ASP 44 4.540 7.649 -3.953
334 HA ASP 44 HA ASP 44 5.914 9.993 -3.364
335 HB2 ASP 44 2HB ASP 44 7.138 8.009 -3.858
336 HB3 ASP 44 1HB ASP 44 6.394 7.865 -5.447
337 H GLY 45 H GLY 45 4.422 9.013 -6.434
338 HA2 GLY 45 2HA GLY 45 4.463 11.854 -7.230
339 HA3 GLY 45 1HA GLY 45 4.841 10.566 -8.366
340 H GLY 46 H GLY 46 2.377 12.385 -6.858
341 HA2 GLY 46 2HA GLY 46 0.366 12.313 -8.446
342 HA3 GLY 46 1HA GLY 46 0.313 10.620 -7.982
343 H LYS 47 H LYS 47 -0.023 10.128 -5.695
344 HA LYS 47 HA LYS 47 -2.210 11.575 -4.662
345 HB2 LYS 47 2HB LYS 47 -0.460 9.420 -3.503
346 HB3 LYS 47 1HB LYS 47 -1.800 10.115 -2.604
347 HG2 LYS 47 2HG LYS 47 -2.079 8.815 -5.304
348 HG3 LYS 47 1HG LYS 47 -2.322 7.979 -3.770
349 HD2 LYS 47 2HD LYS 47 -4.116 9.530 -3.197
350 HD3 LYS 47 1HD LYS 47 -3.857 10.402 -4.710
351 HE2 LYS 47 2HE LYS 47 -4.574 8.532 -5.999
352 HE3 LYS 47 1HE LYS 47 -4.576 7.479 -4.584
353 HZ1 LYS 47 3HZ LYS 47 -6.381 9.796 -5.016
354 HZ2 LYS 47 1HZ LYS 47 -6.388 8.781 -3.663
355 HZ3 LYS 47 2HZ LYS 47 -6.812 8.173 -5.182
356 H GLN 48 H GLN 48 1.226 11.750 -3.989
357 HA GLN 48 HA GLN 48 1.101 13.169 -1.566
358 HB2 GLN 48 2HB GLN 48 3.141 12.095 -2.716
359 HB3 GLN 48 1HB GLN 48 3.253 13.593 -3.624
360 HG2 GLN 48 2HG GLN 48 3.625 14.860 -1.636
361 HG3 GLN 48 1HG GLN 48 3.296 13.453 -0.622
362 HE21 GLN 48 1HE2 GLN 48 5.692 15.185 -0.886
363 HE22 GLN 48 2HE2 GLN 48 6.998 14.112 -1.240
364 H ALA 49 H ALA 49 0.397 14.134 -4.781
365 HA ALA 49 HA ALA 49 0.848 16.948 -4.356
366 HB1 ALA 49 3HB ALA 49 1.093 15.964 -6.572
367 HB2 ALA 49 1HB ALA 49 -0.145 17.220 -6.566
368 HB3 ALA 49 2HB ALA 49 -0.614 15.520 -6.571
369 H LEU 50 H LEU 50 -1.548 14.767 -3.486
370 HA LEU 50 HA LEU 50 -3.584 16.888 -3.304
371 HB2 LEU 50 2HB LEU 50 -3.839 13.897 -3.499
372 HB3 LEU 50 1HB LEU 50 -5.153 14.895 -2.913
373 HG LEU 50 HG LEU 50 -5.679 14.550 -5.154
374 HD11 LEU 50 1HD1 LEU 50 -5.534 16.682 -6.223
375 HD12 LEU 50 2HD1 LEU 50 -4.142 17.137 -5.245
376 HD13 LEU 50 3HD1 LEU 50 -5.724 16.945 -4.491
377 HD21 LEU 50 3HD2 LEU 50 -4.088 14.767 -7.004
378 HD22 LEU 50 1HD2 LEU 50 -3.601 13.521 -5.858
379 HD23 LEU 50 2HD2 LEU 50 -2.796 15.090 -5.846
380 H GLU 51 H GLU 51 -1.874 14.361 -1.561
381 HA GLU 51 HA GLU 51 -3.238 14.440 0.869
382 HB2 GLU 51 2HB GLU 51 -0.327 13.853 0.311
383 HB3 GLU 51 1HB GLU 51 -1.113 13.559 1.857
384 HG2 GLU 51 2HG GLU 51 -2.718 12.063 0.633
385 HG3 GLU 51 1HG GLU 51 -1.678 12.229 -0.780
Start of MODEL 11
1 H1 GLU 1 1HT GLU 1 -14.055 -1.551 -0.467
2 H2 GLU 1 2HT GLU 1 -12.505 -1.852 -1.079
3 H3 GLU 1 3HT GLU 1 -13.122 -0.280 -1.087
4 HA GLU 1 HA GLU 1 -11.652 -0.293 0.676
5 HB2 GLU 1 2HB GLU 1 -13.851 -0.976 2.457
6 HB3 GLU 1 1HB GLU 1 -13.038 0.563 2.225
7 HG2 GLU 1 2HG GLU 1 -15.203 1.060 1.632
8 HG3 GLU 1 1HG GLU 1 -14.470 0.709 0.066
9 H GLN 2 H GLN 2 -10.259 -2.037 0.547
10 HA GLN 2 HA GLN 2 -10.930 -4.636 1.482
11 HB2 GLN 2 2HB GLN 2 -8.417 -4.967 1.458
12 HB3 GLN 2 1HB GLN 2 -9.147 -4.507 -0.073
13 HG2 GLN 2 2HG GLN 2 -8.338 -2.297 0.098
14 HG3 GLN 2 1HG GLN 2 -7.891 -2.514 1.787
15 HE21 GLN 2 1HE2 GLN 2 -6.296 -1.678 -0.531
16 HE22 GLN 2 2HE2 GLN 2 -4.969 -2.782 -0.609
17 H VAL 3 H VAL 3 -9.805 -5.691 3.316
18 HA VAL 3 HA VAL 3 -10.414 -4.432 5.725
19 HB VAL 3 HB VAL 3 -8.903 -6.249 6.755
20 HG11 VAL 3 1HG1 VAL 3 -11.318 -6.421 6.673
21 HG12 VAL 3 2HG1 VAL 3 -10.587 -7.983 6.311
22 HG13 VAL 3 3HG1 VAL 3 -11.243 -6.997 5.006
23 HG21 VAL 3 3HG2 VAL 3 -8.283 -8.090 5.330
24 HG22 VAL 3 1HG2 VAL 3 -7.549 -6.613 4.705
25 HG23 VAL 3 2HG2 VAL 3 -8.978 -7.287 3.922
26 H VAL 4 H VAL 4 -7.334 -4.631 4.003
27 HA VAL 4 HA VAL 4 -5.763 -3.531 6.097
28 HB VAL 4 HB VAL 4 -5.075 -3.256 3.178
29 HG11 VAL 4 1HG1 VAL 4 -3.639 -2.162 4.853
30 HG12 VAL 4 2HG1 VAL 4 -2.800 -3.441 3.975
31 HG13 VAL 4 3HG1 VAL 4 -3.368 -3.727 5.619
32 HG21 VAL 4 3HG2 VAL 4 -4.088 -5.479 3.240
33 HG22 VAL 4 1HG2 VAL 4 -5.824 -5.557 3.542
34 HG23 VAL 4 2HG2 VAL 4 -4.688 -5.713 4.883
35 H ALA 5 H ALA 5 -7.595 -2.140 3.452
36 HA ALA 5 HA ALA 5 -6.557 0.478 3.575
37 HB1 ALA 5 3HB ALA 5 -8.583 1.129 2.338
38 HB2 ALA 5 1HB ALA 5 -9.256 -0.475 2.626
39 HB3 ALA 5 2HB ALA 5 -7.803 -0.292 1.645
40 H ILE 6 H ILE 6 -9.163 -1.133 5.303
41 HA ILE 6 HA ILE 6 -10.324 1.136 6.486
42 HB ILE 6 HB ILE 6 -10.153 -1.656 7.649
43 HG12 ILE 6 2HG1 ILE 6 -12.341 -0.439 5.945
44 HG13 ILE 6 1HG1 ILE 6 -11.101 -1.519 5.322
45 HG21 ILE 6 1HG2 ILE 6 -12.092 0.596 8.187
46 HG22 ILE 6 2HG2 ILE 6 -10.839 0.021 9.286
47 HG23 ILE 6 3HG2 ILE 6 -12.190 -1.030 8.862
48 HD11 ILE 6 3HD1 ILE 6 -13.137 -2.206 7.425
49 HD12 ILE 6 1HD1 ILE 6 -11.904 -3.292 6.784
50 HD13 ILE 6 2HD1 ILE 6 -13.188 -2.692 5.731
51 H ALA 7 H ALA 7 -7.721 -1.006 7.589
52 HA ALA 7 HA ALA 7 -7.283 0.368 10.045
53 HB1 ALA 7 3HB ALA 7 -5.491 -1.508 8.505
54 HB2 ALA 7 1HB ALA 7 -6.622 -1.952 9.784
55 HB3 ALA 7 2HB ALA 7 -5.211 -0.960 10.158
56 H SER 8 H SER 8 -5.906 0.556 6.812
57 HA SER 8 HA SER 8 -3.785 2.318 7.455
58 HB2 SER 8 2HB SER 8 -5.162 1.922 4.790
59 HB3 SER 8 1HB SER 8 -3.572 2.637 5.049
60 HG SER 8 HG SER 8 -4.378 -0.042 5.496
61 H ASN 9 H ASN 9 -7.159 2.803 6.676
62 HA ASN 9 HA ASN 9 -7.033 5.570 6.099
63 HB2 ASN 9 2HB ASN 9 -8.996 4.041 5.643
64 HB3 ASN 9 1HB ASN 9 -9.363 4.115 7.364
65 HD21 ASN 9 1HD2 ASN 9 -11.294 5.145 7.184
66 HD22 ASN 9 2HD2 ASN 9 -11.464 6.771 6.618
67 H ILE 10 H ILE 10 -7.412 3.733 9.068
68 HA ILE 10 HA ILE 10 -7.870 5.932 10.800
69 HB ILE 10 HB ILE 10 -6.710 3.206 11.421
70 HG12 ILE 10 2HG1 ILE 10 -8.960 3.107 10.419
71 HG13 ILE 10 1HG1 ILE 10 -8.979 2.602 12.102
72 HG21 ILE 10 1HG2 ILE 10 -7.410 3.639 13.736
73 HG22 ILE 10 2HG2 ILE 10 -7.888 5.275 13.276
74 HG23 ILE 10 3HG2 ILE 10 -6.193 4.792 13.186
75 HD11 ILE 10 3HD1 ILE 10 -9.881 5.260 11.019
76 HD12 ILE 10 1HD1 ILE 10 -9.815 4.836 12.731
77 HD13 ILE 10 2HD1 ILE 10 -10.900 3.968 11.647
78 H GLY 11 H GLY 11 -5.014 4.345 9.540
79 HA2 GLY 11 2HA GLY 11 -3.198 5.745 11.296
80 HA3 GLY 11 1HA GLY 11 -2.758 4.692 9.961
81 H GLY 12 H GLY 12 -4.940 6.719 8.669
82 HA2 GLY 12 2HA GLY 12 -4.860 8.767 7.589
83 HA3 GLY 12 1HA GLY 12 -3.303 9.071 8.341
84 H LYS 13 H LYS 13 -1.703 7.174 7.517
85 HA LYS 13 HA LYS 13 -1.256 7.824 4.755
86 HB2 LYS 13 2HB LYS 13 0.298 5.676 6.126
87 HB3 LYS 13 1HB LYS 13 0.854 6.926 5.025
88 HG2 LYS 13 2HG LYS 13 0.720 8.584 6.763
89 HG3 LYS 13 1HG LYS 13 0.020 7.409 7.877
90 HD2 LYS 13 2HD LYS 13 2.745 7.094 6.622
91 HD3 LYS 13 1HD LYS 13 2.480 7.869 8.183
92 HE2 LYS 13 2HE LYS 13 1.613 5.058 7.526
93 HE3 LYS 13 1HE LYS 13 3.135 5.456 8.314
94 HZ1 LYS 13 3HZ LYS 13 0.693 5.036 9.518
95 HZ2 LYS 13 1HZ LYS 13 0.963 6.706 9.639
96 HZ3 LYS 13 2HZ LYS 13 2.106 5.623 10.248
97 H GLN 14 H GLN 14 -3.236 6.883 3.916
98 HA GLN 14 HA GLN 14 -3.990 4.232 4.112
99 HB2 GLN 14 2HB GLN 14 -5.287 6.129 3.070
100 HB3 GLN 14 1HB GLN 14 -4.315 5.895 1.623
101 HG2 GLN 14 2HG GLN 14 -5.114 3.516 1.592
102 HG3 GLN 14 1HG GLN 14 -6.241 3.951 2.873
103 HE21 GLN 14 1HE2 GLN 14 -5.442 4.279 -0.480
104 HE22 GLN 14 2HE2 GLN 14 -6.941 4.991 -0.977
105 H ALA 15 H ALA 15 -1.581 5.656 1.965
106 HA ALA 15 HA ALA 15 -1.276 3.194 0.476
107 HB1 ALA 15 3HB ALA 15 0.395 5.695 0.328
108 HB2 ALA 15 1HB ALA 15 -1.068 5.402 -0.612
109 HB3 ALA 15 2HB ALA 15 0.350 4.375 -0.841
110 H LEU 16 H LEU 16 0.613 5.019 2.874
111 HA LEU 16 HA LEU 16 2.829 3.217 2.748
112 HB2 LEU 16 2HB LEU 16 2.080 5.409 4.657
113 HB3 LEU 16 1HB LEU 16 3.493 4.404 4.912
114 HG LEU 16 HG LEU 16 3.008 6.150 2.496
115 HD11 LEU 16 1HD1 LEU 16 4.834 6.489 4.867
116 HD12 LEU 16 2HD1 LEU 16 3.430 7.477 4.465
117 HD13 LEU 16 3HD1 LEU 16 4.849 7.493 3.419
118 HD21 LEU 16 3HD2 LEU 16 5.386 5.640 2.007
119 HD22 LEU 16 1HD2 LEU 16 4.325 4.236 1.885
120 HD23 LEU 16 2HD2 LEU 16 5.356 4.441 3.301
121 H GLU 17 H GLU 17 0.024 3.507 4.877
122 HA GLU 17 HA GLU 17 0.978 1.585 6.748
123 HB2 GLU 17 2HB GLU 17 -1.015 3.384 6.837
124 HB3 GLU 17 1HB GLU 17 -1.947 1.950 6.435
125 HG2 GLU 17 2HG GLU 17 -2.016 1.993 8.744
126 HG3 GLU 17 1HG GLU 17 -0.715 0.851 8.407
127 H THR 18 H THR 18 -0.936 1.395 3.805
128 HA THR 18 HA THR 18 -1.704 -1.320 4.206
129 HB THR 18 HB THR 18 -2.916 0.378 2.724
130 HG1 THR 18 HG1 THR 18 -2.408 -2.316 2.181
131 HG21 THR 18 3HG2 THR 18 -0.823 -0.518 0.741
132 HG22 THR 18 1HG2 THR 18 -1.014 1.118 1.378
133 HG23 THR 18 2HG2 THR 18 -2.270 0.414 0.362
134 H VAL 19 H VAL 19 0.996 0.259 2.541
135 HA VAL 19 HA VAL 19 1.874 -2.074 1.189
136 HB VAL 19 HB VAL 19 2.541 0.310 0.638
137 HG11 VAL 19 1HG1 VAL 19 4.535 1.205 1.706
138 HG12 VAL 19 2HG1 VAL 19 4.552 -0.153 2.834
139 HG13 VAL 19 3HG1 VAL 19 3.227 1.011 2.869
140 HG21 VAL 19 3HG2 VAL 19 3.553 -1.611 -0.455
141 HG22 VAL 19 1HG2 VAL 19 4.725 -1.757 0.854
142 HG23 VAL 19 2HG2 VAL 19 4.746 -0.340 -0.195
143 H GLN 20 H GLN 20 2.243 -0.955 4.433
144 HA GLN 20 HA GLN 20 4.530 -2.509 5.109
145 HB2 GLN 20 2HB GLN 20 2.367 -1.243 6.781
146 HB3 GLN 20 1HB GLN 20 3.723 -2.114 7.481
147 HG2 GLN 20 2HG GLN 20 5.275 -0.524 6.739
148 HG3 GLN 20 1HG GLN 20 4.135 0.177 5.592
149 HE21 GLN 20 1HE2 GLN 20 1.953 0.179 7.479
150 HE22 GLN 20 2HE2 GLN 20 2.254 1.459 8.603
151 H ARG 21 H ARG 21 1.151 -3.205 4.821
152 HA ARG 21 HA ARG 21 1.494 -5.753 6.234
153 HB2 ARG 21 2HB ARG 21 -0.686 -3.919 5.942
154 HB3 ARG 21 1HB ARG 21 -1.165 -5.486 5.303
155 HG2 ARG 21 2HG ARG 21 -1.778 -5.459 7.582
156 HG3 ARG 21 1HG ARG 21 -0.356 -6.497 7.454
157 HD2 ARG 21 2HD ARG 21 0.118 -5.187 9.314
158 HD3 ARG 21 1HD ARG 21 0.978 -4.360 8.016
159 HE ARG 21 HE ARG 21 -1.634 -3.308 8.307
160 HH11 ARG 21 1HH1 ARG 21 1.522 -3.274 9.835
161 HH12 ARG 21 2HH1 ARG 21 1.272 -1.734 10.591
162 HH21 ARG 21 1HH2 ARG 21 -1.945 -1.275 9.277
163 HH22 ARG 21 2HH2 ARG 21 -0.698 -0.600 10.277
164 H LEU 22 H LEU 22 0.880 -4.413 3.060
165 HA LEU 22 HA LEU 22 0.220 -6.940 1.878
166 HB2 LEU 22 2HB LEU 22 1.055 -4.341 0.594
167 HB3 LEU 22 1HB LEU 22 0.439 -5.737 -0.267
168 HG LEU 22 HG LEU 22 -1.100 -4.110 1.758
169 HD11 LEU 22 1HD1 LEU 22 -1.301 -4.252 -1.247
170 HD12 LEU 22 2HD1 LEU 22 -0.746 -2.876 -0.292
171 HD13 LEU 22 3HD1 LEU 22 -2.427 -3.402 -0.186
172 HD21 LEU 22 3HD2 LEU 22 -1.843 -6.393 1.813
173 HD22 LEU 22 1HD2 LEU 22 -1.906 -6.457 0.053
174 HD23 LEU 22 2HD2 LEU 22 -3.034 -5.433 0.937
175 H LEU 23 H LEU 23 3.127 -5.200 2.557
176 HA LEU 23 HA LEU 23 4.862 -6.256 0.664
177 HB2 LEU 23 2HB LEU 23 5.326 -4.404 2.311
178 HB3 LEU 23 1HB LEU 23 5.613 -5.645 3.514
179 HG LEU 23 HG LEU 23 7.392 -6.553 1.899
180 HD11 LEU 23 1HD1 LEU 23 8.365 -4.849 0.407
181 HD12 LEU 23 2HD1 LEU 23 7.001 -3.786 0.761
182 HD13 LEU 23 3HD1 LEU 23 6.734 -5.316 -0.077
183 HD21 LEU 23 3HD2 LEU 23 9.056 -4.939 2.730
184 HD22 LEU 23 1HD2 LEU 23 7.948 -5.472 3.994
185 HD23 LEU 23 2HD2 LEU 23 7.745 -3.883 3.257
186 HA PRO 24 HA PRO 24 6.014 -9.888 3.721
187 HB2 PRO 24 2HB PRO 24 4.026 -10.510 5.532
188 HB3 PRO 24 1HB PRO 24 5.481 -9.585 5.914
189 HG2 PRO 24 2HG PRO 24 2.720 -8.615 5.289
190 HG3 PRO 24 1HG PRO 24 3.868 -8.023 6.507
191 HD2 PRO 24 2HD PRO 24 3.492 -6.716 4.206
192 HD3 PRO 24 1HD PRO 24 5.103 -6.836 4.949
193 H VAL 25 H VAL 25 2.538 -9.396 3.143
194 HA VAL 25 HA VAL 25 1.865 -12.069 2.637
195 HB VAL 25 HB VAL 25 0.592 -9.588 1.461
196 HG11 VAL 25 1HG1 VAL 25 -1.403 -10.969 1.186
197 HG12 VAL 25 2HG1 VAL 25 -0.532 -12.369 1.812
198 HG13 VAL 25 3HG1 VAL 25 -0.048 -11.643 0.279
199 HG21 VAL 25 3HG2 VAL 25 0.633 -9.476 3.879
200 HG22 VAL 25 1HG2 VAL 25 -0.033 -11.107 3.991
201 HG23 VAL 25 2HG2 VAL 25 -1.010 -9.798 3.323
202 H LEU 26 H LEU 26 2.652 -9.447 0.365
203 HA LEU 26 HA LEU 26 2.555 -11.081 -1.941
204 HB2 LEU 26 2HB LEU 26 3.167 -8.336 -1.286
205 HB3 LEU 26 1HB LEU 26 4.285 -8.953 -2.482
206 HG LEU 26 HG LEU 26 2.375 -7.822 -3.519
207 HD11 LEU 26 1HD1 LEU 26 1.743 -9.576 -5.090
208 HD12 LEU 26 2HD1 LEU 26 2.378 -10.797 -3.988
209 HD13 LEU 26 3HD1 LEU 26 3.469 -9.628 -4.731
210 HD21 LEU 26 3HD2 LEU 26 0.707 -9.995 -2.267
211 HD22 LEU 26 1HD2 LEU 26 0.141 -8.751 -3.380
212 HD23 LEU 26 2HD2 LEU 26 0.718 -8.302 -1.774
213 H CYS 27 H CYS 27 5.096 -10.324 0.348
214 HA CYS 27 HA CYS 27 7.234 -11.326 -1.257
215 HB2 CYS 27 2HB CYS 27 7.160 -9.795 0.955
216 HB3 CYS 27 1HB CYS 27 7.500 -11.356 1.697
217 HG CYS 27 HG CYS 27 9.455 -10.664 -0.935
218 H GLN 28 H GLN 28 4.972 -12.721 0.986
219 HA GLN 28 HA GLN 28 6.396 -15.210 1.244
220 HB2 GLN 28 2HB GLN 28 4.910 -14.240 3.016
221 HB3 GLN 28 1HB GLN 28 3.533 -14.560 1.975
222 HG2 GLN 28 2HG GLN 28 3.904 -16.922 2.110
223 HG3 GLN 28 1HG GLN 28 5.413 -16.682 2.989
224 HE21 GLN 28 1HE2 GLN 28 2.532 -14.802 3.570
225 HE22 GLN 28 2HE2 GLN 28 2.192 -15.440 5.138
226 H ALA 29 H ALA 29 3.526 -14.035 -0.474
227 HA ALA 29 HA ALA 29 2.941 -16.565 -1.663
228 HB1 ALA 29 3HB ALA 29 1.290 -15.327 -2.978
229 HB2 ALA 29 1HB ALA 29 1.964 -13.806 -2.389
230 HB3 ALA 29 2HB ALA 29 1.194 -14.924 -1.262
231 H HIS 30 H HIS 30 4.256 -13.524 -3.010
232 HA HIS 30 HA HIS 30 5.085 -15.036 -5.391
233 HB2 HIS 30 2HB HIS 30 4.710 -12.083 -4.909
234 HB3 HIS 30 1HB HIS 30 5.508 -12.715 -6.342
235 HD1 HIS 30 HD1 HIS 30 3.209 -11.184 -7.118
236 HD2 HIS 30 HD2 HIS 30 2.749 -15.109 -5.826
237 HE1 HIS 30 HE1 HIS 30 0.983 -11.934 -8.012
238 HE2 HIS 30 HE2 HIS 30 0.674 -14.274 -7.125
239 H GLY 31 H GLY 31 6.349 -12.646 -3.072
240 HA2 GLY 31 2HA GLY 31 8.537 -13.089 -2.093
241 HA3 GLY 31 1HA GLY 31 9.039 -13.718 -3.656
242 H LEU 32 H LEU 32 8.378 -11.877 -5.433
243 HA LEU 32 HA LEU 32 10.330 -9.887 -5.120
244 HB2 LEU 32 2HB LEU 32 8.143 -10.375 -7.093
245 HB3 LEU 32 1HB LEU 32 9.026 -8.865 -7.147
246 HG LEU 32 HG LEU 32 9.993 -10.358 -8.742
247 HD11 LEU 32 1HD1 LEU 32 11.491 -8.922 -7.324
248 HD12 LEU 32 2HD1 LEU 32 12.263 -10.307 -8.091
249 HD13 LEU 32 3HD1 LEU 32 11.850 -10.368 -6.379
250 HD21 LEU 32 3HD2 LEU 32 9.245 -12.483 -7.931
251 HD22 LEU 32 1HD2 LEU 32 10.215 -12.321 -6.465
252 HD23 LEU 32 2HD2 LEU 32 11.005 -12.520 -8.028
253 H THR 33 H THR 33 6.912 -9.899 -4.486
254 HA THR 33 HA THR 33 5.421 -8.307 -3.874
255 HB THR 33 HB THR 33 6.383 -8.918 -1.740
256 HG1 THR 33 HG1 THR 33 5.427 -7.309 -0.704
257 HG21 THR 33 3HG2 THR 33 8.732 -8.345 -2.118
258 HG22 THR 33 1HG2 THR 33 8.126 -7.592 -0.643
259 HG23 THR 33 2HG2 THR 33 8.320 -6.629 -2.108
260 HA PRO 34 HA PRO 34 7.004 -4.842 -6.417
261 HB2 PRO 34 2HB PRO 34 4.320 -4.959 -7.577
262 HB3 PRO 34 1HB PRO 34 5.887 -5.118 -8.375
263 HG2 PRO 34 2HG PRO 34 4.209 -7.208 -8.088
264 HG3 PRO 34 1HG PRO 34 5.970 -7.400 -8.046
265 HD2 PRO 34 2HD PRO 34 4.025 -7.271 -5.764
266 HD3 PRO 34 1HD PRO 34 5.403 -8.367 -6.006
267 H GLU 35 H GLU 35 4.752 -5.210 -4.004
268 HA GLU 35 HA GLU 35 3.183 -2.893 -4.172
269 HB2 GLU 35 2HB GLU 35 4.149 -4.321 -1.688
270 HB3 GLU 35 1HB GLU 35 2.812 -3.181 -1.763
271 HG2 GLU 35 2HG GLU 35 2.976 -5.917 -2.986
272 HG3 GLU 35 1HG GLU 35 1.883 -5.357 -1.723
273 H GLN 36 H GLN 36 6.416 -3.459 -2.947
274 HA GLN 36 HA GLN 36 6.703 -0.861 -1.774
275 HB2 GLN 36 2HB GLN 36 9.095 -1.468 -1.577
276 HB3 GLN 36 1HB GLN 36 8.027 -2.703 -0.923
277 HG2 GLN 36 2HG GLN 36 8.290 -4.005 -2.982
278 HG3 GLN 36 1HG GLN 36 9.386 -2.773 -3.606
279 HE21 GLN 36 1HE2 GLN 36 9.833 -5.604 -3.070
280 HE22 GLN 36 2HE2 GLN 36 11.176 -5.669 -1.980
281 H VAL 37 H VAL 37 6.356 -1.717 -4.872
282 HA VAL 37 HA VAL 37 8.192 0.358 -5.870
283 HB VAL 37 HB VAL 37 6.947 -1.872 -7.488
284 HG11 VAL 37 1HG1 VAL 37 9.167 0.069 -8.122
285 HG12 VAL 37 2HG1 VAL 37 7.539 0.093 -8.796
286 HG13 VAL 37 3HG1 VAL 37 8.627 -1.245 -9.165
287 HG21 VAL 37 3HG2 VAL 37 8.466 -2.825 -5.843
288 HG22 VAL 37 1HG2 VAL 37 9.730 -1.698 -6.336
289 HG23 VAL 37 2HG2 VAL 37 9.162 -2.933 -7.460
290 H VAL 38 H VAL 38 5.089 -1.156 -6.823
291 HA VAL 38 HA VAL 38 4.236 1.130 -8.253
292 HB VAL 38 HB VAL 38 3.376 -1.029 -8.874
293 HG11 VAL 38 1HG1 VAL 38 3.379 -2.097 -6.678
294 HG12 VAL 38 2HG1 VAL 38 1.823 -2.291 -7.481
295 HG13 VAL 38 3HG1 VAL 38 2.007 -1.105 -6.189
296 HG21 VAL 38 3HG2 VAL 38 0.958 -0.530 -8.952
297 HG22 VAL 38 1HG2 VAL 38 1.959 0.854 -9.388
298 HG23 VAL 38 2HG2 VAL 38 1.214 0.772 -7.793
299 H ALA 39 H ALA 39 3.310 -0.073 -5.006
300 HA ALA 39 HA ALA 39 1.408 1.983 -4.551
301 HB1 ALA 39 3HB ALA 39 1.378 -0.136 -3.324
302 HB2 ALA 39 1HB ALA 39 1.419 1.251 -2.235
303 HB3 ALA 39 2HB ALA 39 2.883 0.310 -2.522
304 H ILE 40 H ILE 40 4.823 1.639 -3.738
305 HA ILE 40 HA ILE 40 4.999 4.009 -2.196
306 HB ILE 40 HB ILE 40 7.156 2.485 -3.668
307 HG12 ILE 40 2HG1 ILE 40 6.044 1.208 -1.890
308 HG13 ILE 40 1HG1 ILE 40 7.698 1.602 -1.437
309 HG21 ILE 40 1HG2 ILE 40 7.438 4.663 -1.602
310 HG22 ILE 40 2HG2 ILE 40 7.850 4.791 -3.313
311 HG23 ILE 40 3HG2 ILE 40 8.754 3.695 -2.267
312 HD11 ILE 40 3HD1 ILE 40 6.726 3.553 -0.148
313 HD12 ILE 40 1HD1 ILE 40 6.400 1.938 0.485
314 HD13 ILE 40 2HD1 ILE 40 5.153 2.803 -0.409
315 H ALA 41 H ALA 41 5.755 3.317 -5.607
316 HA ALA 41 HA ALA 41 6.662 5.871 -6.303
317 HB1 ALA 41 3HB ALA 41 5.220 3.931 -8.105
318 HB2 ALA 41 1HB ALA 41 6.938 3.866 -7.718
319 HB3 ALA 41 2HB ALA 41 6.286 5.244 -8.600
320 H SER 42 H SER 42 3.376 4.515 -6.357
321 HA SER 42 HA SER 42 2.163 6.810 -7.508
322 HB2 SER 42 2HB SER 42 0.871 4.685 -5.782
323 HB3 SER 42 1HB SER 42 0.049 5.778 -6.893
324 HG SER 42 HG SER 42 1.816 3.649 -7.497
325 H HIS 43 H HIS 43 3.021 5.912 -4.263
326 HA HIS 43 HA HIS 43 1.414 7.857 -2.942
327 HB2 HIS 43 2HB HIS 43 1.997 6.190 -1.471
328 HB3 HIS 43 1HB HIS 43 3.597 5.981 -2.167
329 HD1 HIS 43 HD1 HIS 43 1.743 8.472 0.052
330 HD2 HIS 43 HD2 HIS 43 5.592 7.073 -0.681
331 HE1 HIS 43 HE1 HIS 43 3.205 9.550 1.788
332 HE2 HIS 43 HE2 HIS 43 5.546 8.839 1.203
333 H ASP 44 H ASP 44 4.780 7.779 -4.056
334 HA ASP 44 HA ASP 44 5.278 10.451 -3.058
335 HB2 ASP 44 2HB ASP 44 6.992 8.564 -3.193
336 HB3 ASP 44 1HB ASP 44 7.041 8.873 -4.926
337 H GLY 45 H GLY 45 4.401 8.922 -6.052
338 HA2 GLY 45 2HA GLY 45 4.137 11.588 -7.272
339 HA3 GLY 45 1HA GLY 45 4.892 10.272 -8.164
340 H GLY 46 H GLY 46 1.995 11.815 -7.393
341 HA2 GLY 46 2HA GLY 46 0.225 11.089 -9.078
342 HA3 GLY 46 1HA GLY 46 0.398 9.512 -8.316
343 H LYS 47 H LYS 47 0.502 10.007 -5.706
344 HA LYS 47 HA LYS 47 -2.139 11.148 -5.146
345 HB2 LYS 47 2HB LYS 47 -0.336 9.280 -3.608
346 HB3 LYS 47 1HB LYS 47 -1.766 10.012 -2.892
347 HG2 LYS 47 2HG LYS 47 -3.096 8.997 -4.760
348 HG3 LYS 47 1HG LYS 47 -1.641 8.111 -5.215
349 HD2 LYS 47 2HD LYS 47 -3.032 6.701 -3.841
350 HD3 LYS 47 1HD LYS 47 -1.580 7.136 -2.938
351 HE2 LYS 47 2HE LYS 47 -3.702 7.245 -1.620
352 HE3 LYS 47 1HE LYS 47 -2.778 8.744 -1.641
353 HZ1 LYS 47 3HZ LYS 47 -4.786 8.477 -3.717
354 HZ2 LYS 47 1HZ LYS 47 -4.378 9.820 -2.765
355 HZ3 LYS 47 2HZ LYS 47 -5.387 8.607 -2.147
356 H GLN 48 H GLN 48 0.126 12.847 -5.660
357 HA GLN 48 HA GLN 48 0.530 14.072 -3.013
358 HB2 GLN 48 2HB GLN 48 2.187 14.179 -5.528
359 HB3 GLN 48 1HB GLN 48 2.437 15.274 -4.175
360 HG2 GLN 48 2HG GLN 48 2.563 12.276 -3.987
361 HG3 GLN 48 1HG GLN 48 3.963 13.329 -4.194
362 HE21 GLN 48 1HE2 GLN 48 3.158 11.483 -2.011
363 HE22 GLN 48 2HE2 GLN 48 3.198 12.452 -0.574
364 H ALA 49 H ALA 49 -1.129 14.352 -5.891
365 HA ALA 49 HA ALA 49 -1.504 17.247 -5.503
366 HB1 ALA 49 3HB ALA 49 -2.078 17.405 -7.853
367 HB2 ALA 49 1HB ALA 49 -1.898 15.660 -8.036
368 HB3 ALA 49 2HB ALA 49 -0.493 16.655 -7.667
369 H LEU 50 H LEU 50 -2.884 14.487 -4.685
370 HA LEU 50 HA LEU 50 -5.616 15.289 -5.389
371 HB2 LEU 50 2HB LEU 50 -4.331 12.698 -4.702
372 HB3 LEU 50 1HB LEU 50 -5.999 12.918 -4.215
373 HG LEU 50 HG LEU 50 -5.913 11.754 -6.330
374 HD11 LEU 50 1HD1 LEU 50 -7.726 13.406 -5.918
375 HD12 LEU 50 2HD1 LEU 50 -7.384 13.113 -7.623
376 HD13 LEU 50 3HD1 LEU 50 -6.798 14.584 -6.849
377 HD21 LEU 50 3HD2 LEU 50 -4.972 12.754 -8.337
378 HD22 LEU 50 1HD2 LEU 50 -3.733 12.545 -7.098
379 HD23 LEU 50 2HD2 LEU 50 -4.418 14.141 -7.399
380 H GLU 51 H GLU 51 -3.716 14.124 -2.618
381 HA GLU 51 HA GLU 51 -5.613 15.511 -0.856
382 HB2 GLU 51 2HB GLU 51 -4.581 13.978 0.932
383 HB3 GLU 51 1HB GLU 51 -5.689 13.257 -0.225
384 HG2 GLU 51 2HG GLU 51 -2.900 13.172 -1.077
385 HG3 GLU 51 1HG GLU 51 -3.213 12.297 0.420
Start of MODEL 12
1 H1 GLU 1 1HT GLU 1 -16.042 -3.680 4.040
2 H2 GLU 1 2HT GLU 1 -15.695 -5.155 4.784
3 H3 GLU 1 3HT GLU 1 -14.931 -4.739 3.333
4 HA GLU 1 HA GLU 1 -13.948 -2.802 4.498
5 HB2 GLU 1 2HB GLU 1 -13.762 -3.115 7.003
6 HB3 GLU 1 1HB GLU 1 -15.334 -2.596 6.416
7 HG2 GLU 1 2HG GLU 1 -14.767 -5.490 6.911
8 HG3 GLU 1 1HG GLU 1 -15.194 -4.411 8.238
9 H GLN 2 H GLN 2 -12.079 -3.417 3.651
10 HA GLN 2 HA GLN 2 -10.980 -6.047 4.190
11 HB2 GLN 2 2HB GLN 2 -10.912 -4.656 1.958
12 HB3 GLN 2 1HB GLN 2 -9.513 -3.900 2.704
13 HG2 GLN 2 2HG GLN 2 -9.111 -5.874 1.147
14 HG3 GLN 2 1HG GLN 2 -8.289 -5.877 2.706
15 HE21 GLN 2 1HE2 GLN 2 -10.917 -7.260 0.850
16 HE22 GLN 2 2HE2 GLN 2 -11.131 -8.658 1.843
17 H VAL 3 H VAL 3 -8.948 -6.409 5.167
18 HA VAL 3 HA VAL 3 -8.476 -4.973 7.515
19 HB VAL 3 HB VAL 3 -6.308 -6.209 7.646
20 HG11 VAL 3 1HG1 VAL 3 -7.337 -8.428 7.830
21 HG12 VAL 3 2HG1 VAL 3 -8.744 -7.839 6.944
22 HG13 VAL 3 3HG1 VAL 3 -8.353 -7.166 8.528
23 HG21 VAL 3 3HG2 VAL 3 -7.172 -7.326 4.979
24 HG22 VAL 3 1HG2 VAL 3 -5.832 -7.925 5.957
25 HG23 VAL 3 2HG2 VAL 3 -5.768 -6.301 5.274
26 H VAL 4 H VAL 4 -7.091 -4.588 4.311
27 HA VAL 4 HA VAL 4 -4.982 -2.850 5.116
28 HB VAL 4 HB VAL 4 -4.722 -2.329 2.740
29 HG11 VAL 4 1HG1 VAL 4 -4.158 -4.530 1.963
30 HG12 VAL 4 2HG1 VAL 4 -5.264 -5.271 3.118
31 HG13 VAL 4 3HG1 VAL 4 -3.818 -4.439 3.691
32 HG21 VAL 4 3HG2 VAL 4 -6.185 -3.296 1.048
33 HG22 VAL 4 1HG2 VAL 4 -7.092 -2.226 2.119
34 HG23 VAL 4 2HG2 VAL 4 -7.216 -3.975 2.311
35 H ALA 5 H ALA 5 -8.334 -2.413 4.273
36 HA ALA 5 HA ALA 5 -8.159 0.426 3.908
37 HB1 ALA 5 3HB ALA 5 -10.606 0.357 3.842
38 HB2 ALA 5 1HB ALA 5 -10.571 -1.332 4.351
39 HB3 ALA 5 2HB ALA 5 -9.901 -0.871 2.787
40 H ILE 6 H ILE 6 -9.297 -1.752 6.469
41 HA ILE 6 HA ILE 6 -10.188 0.145 8.295
42 HB ILE 6 HB ILE 6 -8.831 -2.488 8.908
43 HG12 ILE 6 2HG1 ILE 6 -11.786 -1.891 8.759
44 HG13 ILE 6 1HG1 ILE 6 -10.869 -2.538 7.403
45 HG21 ILE 6 1HG2 ILE 6 -8.930 -0.974 10.841
46 HG22 ILE 6 2HG2 ILE 6 -9.952 -2.395 11.048
47 HG23 ILE 6 3HG2 ILE 6 -10.677 -0.842 10.630
48 HD11 ILE 6 3HD1 ILE 6 -11.218 -3.857 10.089
49 HD12 ILE 6 1HD1 ILE 6 -10.304 -4.510 8.728
50 HD13 ILE 6 2HD1 ILE 6 -12.048 -4.294 8.597
51 H ALA 7 H ALA 7 -6.936 -1.270 7.971
52 HA ALA 7 HA ALA 7 -5.731 0.159 10.064
53 HB1 ALA 7 3HB ALA 7 -3.605 -0.426 9.001
54 HB2 ALA 7 1HB ALA 7 -4.462 -0.898 7.537
55 HB3 ALA 7 2HB ALA 7 -4.702 -1.805 9.029
56 H SER 8 H SER 8 -6.183 0.924 6.657
57 HA SER 8 HA SER 8 -4.621 3.271 6.593
58 HB2 SER 8 2HB SER 8 -6.913 2.332 4.866
59 HB3 SER 8 1HB SER 8 -5.948 3.764 4.518
60 HG SER 8 HG SER 8 -5.205 1.045 4.481
61 H ASN 9 H ASN 9 -8.009 2.663 7.309
62 HA ASN 9 HA ASN 9 -8.822 5.379 7.366
63 HB2 ASN 9 2HB ASN 9 -10.023 2.864 8.514
64 HB3 ASN 9 1HB ASN 9 -10.784 4.442 8.696
65 HD21 ASN 9 1HD2 ASN 9 -11.563 1.952 7.250
66 HD22 ASN 9 2HD2 ASN 9 -11.912 2.473 5.639
67 H ILE 10 H ILE 10 -7.217 3.338 9.636
68 HA ILE 10 HA ILE 10 -7.795 5.071 11.885
69 HB ILE 10 HB ILE 10 -5.926 2.704 11.685
70 HG12 ILE 10 2HG1 ILE 10 -8.647 2.916 12.989
71 HG13 ILE 10 1HG1 ILE 10 -8.366 2.220 11.398
72 HG21 ILE 10 1HG2 ILE 10 -5.908 2.758 14.139
73 HG22 ILE 10 2HG2 ILE 10 -6.858 4.247 14.105
74 HG23 ILE 10 3HG2 ILE 10 -5.222 4.229 13.445
75 HD11 ILE 10 3HD1 ILE 10 -7.199 1.197 13.974
76 HD12 ILE 10 1HD1 ILE 10 -7.004 0.475 12.378
77 HD13 ILE 10 2HD1 ILE 10 -8.596 0.523 13.138
78 H GLY 11 H GLY 11 -5.051 4.262 9.810
79 HA2 GLY 11 2HA GLY 11 -3.253 6.059 11.140
80 HA3 GLY 11 1HA GLY 11 -2.965 5.233 9.616
81 H GLY 12 H GLY 12 -4.498 6.118 7.797
82 HA2 GLY 12 2HA GLY 12 -5.684 8.318 7.292
83 HA3 GLY 12 1HA GLY 12 -4.197 9.050 7.871
84 H LYS 13 H LYS 13 -2.769 6.639 6.557
85 HA LYS 13 HA LYS 13 -2.727 7.864 3.879
86 HB2 LYS 13 2HB LYS 13 -0.586 6.351 5.377
87 HB3 LYS 13 1HB LYS 13 -0.451 6.812 3.686
88 HG2 LYS 13 2HG LYS 13 0.659 8.544 4.647
89 HG3 LYS 13 1HG LYS 13 -0.974 9.207 4.653
90 HD2 LYS 13 2HD LYS 13 -0.056 9.606 6.810
91 HD3 LYS 13 1HD LYS 13 -1.226 8.295 6.984
92 HE2 LYS 13 2HE LYS 13 1.300 7.152 6.370
93 HE3 LYS 13 1HE LYS 13 1.534 8.323 7.667
94 HZ1 LYS 13 3HZ LYS 13 1.028 6.303 8.706
95 HZ2 LYS 13 1HZ LYS 13 -0.247 5.954 7.643
96 HZ3 LYS 13 2HZ LYS 13 -0.402 7.196 8.785
97 H GLN 14 H GLN 14 -4.260 6.719 2.854
98 HA GLN 14 HA GLN 14 -4.863 4.031 3.068
99 HB2 GLN 14 2HB GLN 14 -5.079 5.641 0.525
100 HB3 GLN 14 1HB GLN 14 -6.053 4.254 0.995
101 HG2 GLN 14 2HG GLN 14 -6.033 6.835 2.537
102 HG3 GLN 14 1HG GLN 14 -7.144 6.512 1.210
103 HE21 GLN 14 1HE2 GLN 14 -7.650 6.994 4.068
104 HE22 GLN 14 2HE2 GLN 14 -8.548 5.621 4.618
105 H ALA 15 H ALA 15 -2.334 5.548 1.185
106 HA ALA 15 HA ALA 15 -1.765 3.149 -0.301
107 HB1 ALA 15 3HB ALA 15 0.076 4.408 -1.267
108 HB2 ALA 15 1HB ALA 15 -0.181 5.704 -0.098
109 HB3 ALA 15 2HB ALA 15 -1.416 5.346 -1.306
110 H LEU 16 H LEU 16 -0.161 4.936 2.328
111 HA LEU 16 HA LEU 16 2.054 3.169 2.484
112 HB2 LEU 16 2HB LEU 16 1.007 5.391 4.157
113 HB3 LEU 16 1HB LEU 16 2.177 4.298 4.870
114 HG LEU 16 HG LEU 16 2.647 5.818 2.304
115 HD11 LEU 16 1HD1 LEU 16 3.532 6.452 5.114
116 HD12 LEU 16 2HD1 LEU 16 2.400 7.383 4.132
117 HD13 LEU 16 3HD1 LEU 16 4.096 7.268 3.655
118 HD21 LEU 16 3HD2 LEU 16 5.006 5.234 2.754
119 HD22 LEU 16 1HD2 LEU 16 3.992 3.823 2.466
120 HD23 LEU 16 2HD2 LEU 16 4.476 4.239 4.108
121 H GLU 17 H GLU 17 -0.988 3.356 4.286
122 HA GLU 17 HA GLU 17 -0.253 1.344 6.154
123 HB2 GLU 17 2HB GLU 17 -2.758 2.779 5.438
124 HB3 GLU 17 1HB GLU 17 -2.917 1.256 6.302
125 HG2 GLU 17 2HG GLU 17 -2.909 2.924 7.948
126 HG3 GLU 17 1HG GLU 17 -1.309 2.191 8.006
127 H THR 18 H THR 18 -1.904 1.289 3.043
128 HA THR 18 HA THR 18 -2.696 -1.438 3.205
129 HB THR 18 HB THR 18 -2.415 0.417 0.836
130 HG1 THR 18 HG1 THR 18 -4.146 1.079 1.972
131 HG21 THR 18 3HG2 THR 18 -3.720 -1.225 -0.435
132 HG22 THR 18 1HG2 THR 18 -3.659 -2.338 0.930
133 HG23 THR 18 2HG2 THR 18 -2.174 -1.900 0.081
134 H VAL 19 H VAL 19 0.112 0.209 1.735
135 HA VAL 19 HA VAL 19 1.145 -2.104 0.487
136 HB VAL 19 HB VAL 19 1.814 0.248 -0.072
137 HG11 VAL 19 1HG1 VAL 19 2.221 0.988 2.265
138 HG12 VAL 19 2HG1 VAL 19 3.549 1.351 1.165
139 HG13 VAL 19 3HG1 VAL 19 3.675 -0.006 2.284
140 HG21 VAL 19 3HG2 VAL 19 4.152 -0.334 -0.594
141 HG22 VAL 19 1HG2 VAL 19 3.024 -1.631 -0.987
142 HG23 VAL 19 2HG2 VAL 19 4.018 -1.736 0.465
143 H GLN 20 H GLN 20 1.603 -0.788 3.730
144 HA GLN 20 HA GLN 20 3.720 -2.552 4.448
145 HB2 GLN 20 2HB GLN 20 1.814 -0.829 6.000
146 HB3 GLN 20 1HB GLN 20 2.895 -1.939 6.831
147 HG2 GLN 20 2HG GLN 20 4.818 -0.819 5.958
148 HG3 GLN 20 1HG GLN 20 3.816 0.192 4.917
149 HE21 GLN 20 1HE2 GLN 20 2.653 1.867 5.804
150 HE22 GLN 20 2HE2 GLN 20 2.972 2.482 7.387
151 H ARG 21 H ARG 21 0.251 -2.774 4.450
152 HA ARG 21 HA ARG 21 0.181 -5.112 6.130
153 HB2 ARG 21 2HB ARG 21 -1.623 -3.323 5.954
154 HB3 ARG 21 1HB ARG 21 -2.055 -4.053 4.415
155 HG2 ARG 21 2HG ARG 21 -3.515 -4.859 6.160
156 HG3 ARG 21 1HG ARG 21 -2.504 -6.175 5.563
157 HD2 ARG 21 2HD ARG 21 -1.321 -4.720 7.799
158 HD3 ARG 21 1HD ARG 21 -2.853 -5.492 8.201
159 HE ARG 21 HE ARG 21 -0.419 -6.850 7.265
160 HH11 ARG 21 1HH1 ARG 21 -3.604 -6.968 8.702
161 HH12 ARG 21 2HH1 ARG 21 -3.490 -8.641 9.143
162 HH21 ARG 21 1HH2 ARG 21 -0.249 -9.069 7.865
163 HH22 ARG 21 2HH2 ARG 21 -1.581 -9.828 8.677
164 H LEU 22 H LEU 22 0.167 -4.429 2.682
165 HA LEU 22 HA LEU 22 -0.434 -7.201 2.033
166 HB2 LEU 22 2HB LEU 22 0.077 -4.771 0.335
167 HB3 LEU 22 1HB LEU 22 -0.123 -6.376 -0.340
168 HG LEU 22 HG LEU 22 -2.189 -4.846 1.243
169 HD11 LEU 22 1HD1 LEU 22 -2.086 -5.628 -1.665
170 HD12 LEU 22 2HD1 LEU 22 -1.840 -4.004 -1.023
171 HD13 LEU 22 3HD1 LEU 22 -3.412 -4.788 -0.861
172 HD21 LEU 22 3HD2 LEU 22 -2.222 -7.620 0.068
173 HD22 LEU 22 1HD2 LEU 22 -3.681 -6.741 0.526
174 HD23 LEU 22 2HD2 LEU 22 -2.482 -7.154 1.748
175 H LEU 23 H LEU 23 2.318 -5.295 2.596
176 HA LEU 23 HA LEU 23 4.226 -6.325 0.902
177 HB2 LEU 23 2HB LEU 23 4.455 -4.479 2.637
178 HB3 LEU 23 1HB LEU 23 4.766 -5.748 3.803
179 HG LEU 23 HG LEU 23 6.639 -6.457 2.112
180 HD11 LEU 23 1HD1 LEU 23 7.619 -4.565 0.935
181 HD12 LEU 23 2HD1 LEU 23 6.282 -3.538 1.453
182 HD13 LEU 23 3HD1 LEU 23 5.983 -4.889 0.356
183 HD21 LEU 23 3HD2 LEU 23 6.845 -4.050 3.916
184 HD22 LEU 23 1HD2 LEU 23 8.214 -4.958 3.275
185 HD23 LEU 23 2HD2 LEU 23 7.078 -5.737 4.376
186 HA PRO 24 HA PRO 24 5.154 -9.955 4.007
187 HB2 PRO 24 2HB PRO 24 3.129 -10.656 5.698
188 HB3 PRO 24 1HB PRO 24 4.437 -9.555 6.147
189 HG2 PRO 24 2HG PRO 24 1.660 -8.922 5.214
190 HG3 PRO 24 1HG PRO 24 2.581 -8.201 6.548
191 HD2 PRO 24 2HD PRO 24 2.358 -6.967 4.180
192 HD3 PRO 24 1HD PRO 24 3.860 -6.895 5.124
193 H VAL 25 H VAL 25 2.297 -9.312 2.295
194 HA VAL 25 HA VAL 25 1.534 -12.112 2.040
195 HB VAL 25 HB VAL 25 0.316 -9.699 0.678
196 HG11 VAL 25 1HG1 VAL 25 -1.613 -11.167 0.318
197 HG12 VAL 25 2HG1 VAL 25 -0.732 -12.504 1.056
198 HG13 VAL 25 3HG1 VAL 25 -0.162 -11.802 -0.458
199 HG21 VAL 25 3HG2 VAL 25 0.129 -9.485 3.097
200 HG22 VAL 25 1HG2 VAL 25 -0.554 -11.104 3.202
201 HG23 VAL 25 2HG2 VAL 25 -1.445 -9.824 2.382
202 H LEU 26 H LEU 26 2.503 -9.414 -0.087
203 HA LEU 26 HA LEU 26 2.826 -11.107 -2.360
204 HB2 LEU 26 2HB LEU 26 3.424 -8.251 -1.752
205 HB3 LEU 26 1HB LEU 26 4.185 -8.984 -3.148
206 HG LEU 26 HG LEU 26 2.233 -7.861 -3.918
207 HD11 LEU 26 1HD1 LEU 26 1.040 -9.591 -5.006
208 HD12 LEU 26 2HD1 LEU 26 1.426 -10.752 -3.738
209 HD13 LEU 26 3HD1 LEU 26 2.697 -10.166 -4.810
210 HD21 LEU 26 3HD2 LEU 26 1.053 -7.635 -1.811
211 HD22 LEU 26 1HD2 LEU 26 0.704 -9.364 -1.798
212 HD23 LEU 26 2HD2 LEU 26 -0.008 -8.330 -3.036
213 H CYS 27 H CYS 27 4.954 -10.035 0.210
214 HA CYS 27 HA CYS 27 7.367 -10.771 -1.114
215 HB2 CYS 27 2HB CYS 27 8.472 -10.361 0.926
216 HB3 CYS 27 1HB CYS 27 7.121 -9.233 0.922
217 HG CYS 27 HG CYS 27 7.200 -12.195 2.640
218 H GLN 28 H GLN 28 4.879 -12.533 0.382
219 HA GLN 28 HA GLN 28 6.556 -14.897 0.780
220 HB2 GLN 28 2HB GLN 28 4.892 -14.167 2.524
221 HB3 GLN 28 1HB GLN 28 3.612 -14.551 1.385
222 HG2 GLN 28 2HG GLN 28 3.919 -16.348 2.980
223 HG3 GLN 28 1HG GLN 28 4.332 -16.882 1.353
224 HE21 GLN 28 1HE2 GLN 28 5.548 -18.577 2.262
225 HE22 GLN 28 2HE2 GLN 28 7.128 -18.294 2.907
226 H ALA 29 H ALA 29 3.718 -13.791 -1.028
227 HA ALA 29 HA ALA 29 3.355 -16.253 -2.428
228 HB1 ALA 29 3HB ALA 29 1.719 -15.039 -3.752
229 HB2 ALA 29 1HB ALA 29 2.297 -13.508 -3.092
230 HB3 ALA 29 2HB ALA 29 1.515 -14.685 -2.036
231 H HIS 30 H HIS 30 5.207 -13.342 -3.038
232 HA HIS 30 HA HIS 30 6.167 -14.583 -5.530
233 HB2 HIS 30 2HB HIS 30 5.223 -11.797 -5.060
234 HB3 HIS 30 1HB HIS 30 6.580 -12.031 -6.156
235 HD1 HIS 30 HD1 HIS 30 6.076 -12.968 -8.466
236 HD2 HIS 30 HD2 HIS 30 2.785 -13.010 -5.922
237 HE1 HIS 30 HE1 HIS 30 4.101 -13.554 -9.913
238 HE2 HIS 30 HE2 HIS 30 2.114 -13.514 -8.367
239 H GLY 31 H GLY 31 6.960 -12.081 -3.109
240 HA2 GLY 31 2HA GLY 31 8.935 -12.101 -1.816
241 HA3 GLY 31 1HA GLY 31 9.660 -13.201 -2.975
242 H LEU 32 H LEU 32 8.642 -11.351 -5.170
243 HA LEU 32 HA LEU 32 11.033 -9.839 -5.443
244 HB2 LEU 32 2HB LEU 32 9.735 -10.775 -7.330
245 HB3 LEU 32 1HB LEU 32 8.460 -9.618 -7.002
246 HG LEU 32 HG LEU 32 10.194 -7.802 -7.417
247 HD11 LEU 32 1HD1 LEU 32 12.187 -9.156 -7.185
248 HD12 LEU 32 2HD1 LEU 32 12.110 -8.451 -8.800
249 HD13 LEU 32 3HD1 LEU 32 11.696 -10.148 -8.557
250 HD21 LEU 32 3HD2 LEU 32 8.442 -8.326 -9.017
251 HD22 LEU 32 1HD2 LEU 32 9.414 -9.641 -9.674
252 HD23 LEU 32 2HD2 LEU 32 9.953 -7.973 -9.853
253 H THR 33 H THR 33 8.186 -9.240 -3.776
254 HA THR 33 HA THR 33 7.135 -7.440 -2.892
255 HB THR 33 HB THR 33 8.842 -5.606 -2.093
256 HG1 THR 33 HG1 THR 33 10.476 -6.834 -3.545
257 HG21 THR 33 3HG2 THR 33 7.716 -7.178 -0.618
258 HG22 THR 33 1HG2 THR 33 9.410 -7.011 -0.160
259 HG23 THR 33 2HG2 THR 33 8.875 -8.434 -1.052
260 HA PRO 34 HA PRO 34 7.332 -4.792 -6.686
261 HB2 PRO 34 2HB PRO 34 5.015 -5.486 -7.829
262 HB3 PRO 34 1HB PRO 34 6.467 -6.471 -8.025
263 HG2 PRO 34 2HG PRO 34 4.107 -6.906 -6.250
264 HG3 PRO 34 1HG PRO 34 5.052 -8.091 -7.168
265 HD2 PRO 34 2HD PRO 34 5.349 -7.558 -4.460
266 HD3 PRO 34 1HD PRO 34 6.568 -8.338 -5.486
267 H GLU 35 H GLU 35 5.164 -5.296 -4.099
268 HA GLU 35 HA GLU 35 3.201 -3.350 -4.582
269 HB2 GLU 35 2HB GLU 35 3.850 -3.579 -1.763
270 HB3 GLU 35 1HB GLU 35 2.371 -4.005 -2.607
271 HG2 GLU 35 2HG GLU 35 3.103 -5.983 -1.606
272 HG3 GLU 35 1HG GLU 35 3.555 -6.134 -3.302
273 H GLN 36 H GLN 36 6.072 -3.154 -2.480
274 HA GLN 36 HA GLN 36 5.800 -0.387 -1.991
275 HB2 GLN 36 2HB GLN 36 8.125 -0.504 -1.162
276 HB3 GLN 36 1HB GLN 36 7.094 -1.764 -0.501
277 HG2 GLN 36 2HG GLN 36 8.295 -3.411 -1.433
278 HG3 GLN 36 1HG GLN 36 8.558 -2.518 -2.930
279 HE21 GLN 36 1HE2 GLN 36 10.724 -3.100 -2.983
280 HE22 GLN 36 2HE2 GLN 36 11.891 -2.396 -1.921
281 H VAL 37 H VAL 37 6.814 -1.998 -4.778
282 HA VAL 37 HA VAL 37 8.516 0.176 -5.685
283 HB VAL 37 HB VAL 37 7.661 -2.306 -7.181
284 HG11 VAL 37 1HG1 VAL 37 9.630 -1.793 -8.604
285 HG12 VAL 37 2HG1 VAL 37 9.809 -0.265 -7.745
286 HG13 VAL 37 3HG1 VAL 37 8.362 -0.573 -8.704
287 HG21 VAL 37 3HG2 VAL 37 8.907 -2.969 -5.244
288 HG22 VAL 37 1HG2 VAL 37 10.126 -1.730 -5.545
289 HG23 VAL 37 2HG2 VAL 37 9.967 -3.096 -6.647
290 H VAL 38 H VAL 38 5.238 -0.998 -6.138
291 HA VAL 38 HA VAL 38 4.866 1.035 -8.221
292 HB VAL 38 HB VAL 38 4.189 -1.226 -8.865
293 HG11 VAL 38 1HG1 VAL 38 3.513 -2.126 -6.718
294 HG12 VAL 38 2HG1 VAL 38 2.195 -2.266 -7.881
295 HG13 VAL 38 3HG1 VAL 38 2.152 -1.001 -6.652
296 HG21 VAL 38 3HG2 VAL 38 1.949 -0.669 -9.699
297 HG22 VAL 38 1HG2 VAL 38 3.083 0.668 -9.896
298 HG23 VAL 38 2HG2 VAL 38 1.892 0.706 -8.596
299 H ALA 39 H ALA 39 3.434 -0.070 -5.146
300 HA ALA 39 HA ALA 39 1.349 1.837 -5.090
301 HB1 ALA 39 3HB ALA 39 1.339 -0.178 -3.705
302 HB2 ALA 39 1HB ALA 39 1.134 1.279 -2.733
303 HB3 ALA 39 2HB ALA 39 2.692 0.460 -2.774
304 H ILE 40 H ILE 40 4.586 1.852 -3.621
305 HA ILE 40 HA ILE 40 4.323 4.388 -2.407
306 HB ILE 40 HB ILE 40 6.859 3.006 -3.301
307 HG12 ILE 40 2HG1 ILE 40 5.469 1.664 -1.743
308 HG13 ILE 40 1HG1 ILE 40 7.003 2.148 -1.028
309 HG21 ILE 40 1HG2 ILE 40 7.988 4.410 -1.649
310 HG22 ILE 40 2HG2 ILE 40 6.463 5.219 -1.288
311 HG23 ILE 40 3HG2 ILE 40 7.195 5.391 -2.882
312 HD11 ILE 40 3HD1 ILE 40 4.280 3.294 -0.486
313 HD12 ILE 40 1HD1 ILE 40 5.776 4.020 0.091
314 HD13 ILE 40 2HD1 ILE 40 5.321 2.401 0.623
315 H ALA 41 H ALA 41 5.447 3.333 -5.566
316 HA ALA 41 HA ALA 41 6.382 5.859 -6.444
317 HB1 ALA 41 3HB ALA 41 7.092 3.752 -7.469
318 HB2 ALA 41 1HB ALA 41 6.433 4.870 -8.662
319 HB3 ALA 41 2HB ALA 41 5.462 3.512 -8.094
320 H SER 42 H SER 42 3.244 4.574 -6.057
321 HA SER 42 HA SER 42 2.001 6.261 -8.040
322 HB2 SER 42 2HB SER 42 0.756 4.654 -5.790
323 HB3 SER 42 1HB SER 42 -0.121 5.425 -7.112
324 HG SER 42 HG SER 42 1.935 3.533 -7.572
325 H HIS 43 H HIS 43 2.547 6.274 -4.565
326 HA HIS 43 HA HIS 43 1.057 8.734 -4.205
327 HB2 HIS 43 2HB HIS 43 0.860 7.219 -2.387
328 HB3 HIS 43 1HB HIS 43 2.597 6.945 -2.324
329 HD1 HIS 43 HD1 HIS 43 0.457 10.115 -2.032
330 HD2 HIS 43 HD2 HIS 43 3.537 8.106 -0.083
331 HE1 HIS 43 HE1 HIS 43 1.037 11.526 -0.039
332 HE2 HIS 43 HE2 HIS 43 2.762 10.196 1.226
333 H ASP 44 H ASP 44 4.438 7.721 -3.674
334 HA ASP 44 HA ASP 44 5.273 10.485 -3.467
335 HB2 ASP 44 2HB ASP 44 6.595 7.831 -3.099
336 HB3 ASP 44 1HB ASP 44 7.593 9.261 -3.344
337 H GLY 45 H GLY 45 4.312 9.074 -6.030
338 HA2 GLY 45 2HA GLY 45 6.404 10.258 -7.707
339 HA3 GLY 45 1HA GLY 45 5.857 8.621 -8.047
340 H GLY 46 H GLY 46 3.646 11.003 -6.829
341 HA2 GLY 46 2HA GLY 46 2.706 12.274 -9.047
342 HA3 GLY 46 1HA GLY 46 1.967 10.686 -9.141
343 H LYS 47 H LYS 47 0.945 9.977 -6.965
344 HA LYS 47 HA LYS 47 -1.040 11.956 -6.347
345 HB2 LYS 47 2HB LYS 47 -1.173 9.300 -6.488
346 HB3 LYS 47 1HB LYS 47 -0.850 9.443 -4.765
347 HG2 LYS 47 2HG LYS 47 -3.045 9.679 -4.519
348 HG3 LYS 47 1HG LYS 47 -2.834 11.299 -5.186
349 HD2 LYS 47 2HD LYS 47 -3.369 8.839 -6.844
350 HD3 LYS 47 1HD LYS 47 -4.620 9.954 -6.299
351 HE2 LYS 47 2HE LYS 47 -3.515 11.776 -7.510
352 HE3 LYS 47 1HE LYS 47 -2.267 10.655 -8.053
353 HZ1 LYS 47 3HZ LYS 47 -3.879 10.952 -9.774
354 HZ2 LYS 47 1HZ LYS 47 -5.153 10.562 -8.735
355 HZ3 LYS 47 2HZ LYS 47 -4.029 9.378 -9.178
356 H GLN 48 H GLN 48 1.023 13.247 -5.561
357 HA GLN 48 HA GLN 48 0.930 13.109 -2.624
358 HB2 GLN 48 2HB GLN 48 3.292 13.828 -2.539
359 HB3 GLN 48 1HB GLN 48 3.101 12.246 -3.279
360 HG2 GLN 48 2HG GLN 48 3.112 13.541 -5.511
361 HG3 GLN 48 1HG GLN 48 3.805 14.853 -4.560
362 HE21 GLN 48 1HE2 GLN 48 5.222 13.023 -2.771
363 HE22 GLN 48 2HE2 GLN 48 6.556 12.412 -3.685
364 H ALA 49 H ALA 49 0.836 14.911 -5.530
365 HA ALA 49 HA ALA 49 0.826 17.466 -4.090
366 HB1 ALA 49 3HB ALA 49 1.000 18.503 -6.303
367 HB2 ALA 49 1HB ALA 49 0.895 16.914 -7.062
368 HB3 ALA 49 2HB ALA 49 2.284 17.322 -6.056
369 H LEU 50 H LEU 50 -1.282 15.135 -4.801
370 HA LEU 50 HA LEU 50 -3.476 16.916 -5.592
371 HB2 LEU 50 2HB LEU 50 -3.089 13.943 -5.721
372 HB3 LEU 50 1HB LEU 50 -4.696 14.633 -5.791
373 HG LEU 50 HG LEU 50 -4.102 14.271 -8.024
374 HD11 LEU 50 1HD1 LEU 50 -4.062 16.434 -9.016
375 HD12 LEU 50 2HD1 LEU 50 -3.352 17.151 -7.571
376 HD13 LEU 50 3HD1 LEU 50 -5.008 16.539 -7.531
377 HD21 LEU 50 3HD2 LEU 50 -1.970 15.012 -9.009
378 HD22 LEU 50 1HD2 LEU 50 -1.749 13.813 -7.736
379 HD23 LEU 50 2HD2 LEU 50 -1.426 15.515 -7.409
380 H GLU 51 H GLU 51 -2.095 15.961 -2.846
381 HA GLU 51 HA GLU 51 -4.639 15.617 -1.422
382 HB2 GLU 51 2HB GLU 51 -2.740 14.979 0.431
383 HB3 GLU 51 1HB GLU 51 -3.583 13.815 -0.580
384 HG2 GLU 51 2HG GLU 51 -1.763 13.811 -2.161
385 HG3 GLU 51 1HG GLU 51 -0.931 15.073 -1.253
Start of MODEL 13
1 H1 GLU 1 1HT GLU 1 -16.176 -3.354 4.046
2 H2 GLU 1 2HT GLU 1 -15.778 -4.997 4.087
3 H3 GLU 1 3HT GLU 1 -15.003 -3.968 2.995
4 HA GLU 1 HA GLU 1 -13.907 -2.810 4.713
5 HB2 GLU 1 2HB GLU 1 -14.149 -3.650 7.081
6 HB3 GLU 1 1HB GLU 1 -15.539 -2.789 6.442
7 HG2 GLU 1 2HG GLU 1 -16.629 -4.950 5.981
8 HG3 GLU 1 1HG GLU 1 -15.248 -5.771 6.709
9 H GLN 2 H GLN 2 -11.864 -3.402 4.932
10 HA GLN 2 HA GLN 2 -11.167 -6.236 5.166
11 HB2 GLN 2 2HB GLN 2 -10.144 -4.370 3.013
12 HB3 GLN 2 1HB GLN 2 -9.406 -5.917 3.401
13 HG2 GLN 2 2HG GLN 2 -11.532 -7.034 2.831
14 HG3 GLN 2 1HG GLN 2 -12.188 -5.470 2.353
15 HE21 GLN 2 1HE2 GLN 2 -12.503 -6.045 0.230
16 HE22 GLN 2 2HE2 GLN 2 -11.197 -6.305 -0.874
17 H VAL 3 H VAL 3 -8.885 -6.526 5.814
18 HA VAL 3 HA VAL 3 -8.192 -4.806 7.919
19 HB VAL 3 HB VAL 3 -5.979 -5.983 7.941
20 HG11 VAL 3 1HG1 VAL 3 -6.928 -8.193 8.517
21 HG12 VAL 3 2HG1 VAL 3 -8.462 -7.690 7.810
22 HG13 VAL 3 3HG1 VAL 3 -7.827 -6.851 9.223
23 HG21 VAL 3 3HG2 VAL 3 -7.105 -7.641 5.695
24 HG22 VAL 3 1HG2 VAL 3 -5.515 -7.773 6.439
25 HG23 VAL 3 2HG2 VAL 3 -5.917 -6.364 5.458
26 H VAL 4 H VAL 4 -7.222 -4.826 4.561
27 HA VAL 4 HA VAL 4 -5.057 -3.004 4.834
28 HB VAL 4 HB VAL 4 -5.310 -2.669 2.372
29 HG11 VAL 4 1HG1 VAL 4 -4.723 -5.009 1.770
30 HG12 VAL 4 2HG1 VAL 4 -5.190 -5.497 3.397
31 HG13 VAL 4 3HG1 VAL 4 -3.844 -4.388 3.164
32 HG21 VAL 4 3HG2 VAL 4 -7.544 -4.679 2.638
33 HG22 VAL 4 1HG2 VAL 4 -6.875 -4.058 1.127
34 HG23 VAL 4 2HG2 VAL 4 -7.736 -2.976 2.222
35 H ALA 5 H ALA 5 -8.499 -2.636 4.449
36 HA ALA 5 HA ALA 5 -8.350 0.176 3.807
37 HB1 ALA 5 3HB ALA 5 -10.814 0.084 3.902
38 HB2 ALA 5 1HB ALA 5 -10.711 -1.595 4.429
39 HB3 ALA 5 2HB ALA 5 -10.131 -1.137 2.828
40 H ILE 6 H ILE 6 -9.314 -1.815 6.576
41 HA ILE 6 HA ILE 6 -10.121 0.247 8.285
42 HB ILE 6 HB ILE 6 -8.873 -2.417 8.997
43 HG12 ILE 6 2HG1 ILE 6 -11.785 -1.606 9.012
44 HG13 ILE 6 1HG1 ILE 6 -11.018 -2.419 7.652
45 HG21 ILE 6 1HG2 ILE 6 -8.704 -0.859 10.860
46 HG22 ILE 6 2HG2 ILE 6 -9.901 -2.111 11.200
47 HG23 ILE 6 3HG2 ILE 6 -10.426 -0.493 10.728
48 HD11 ILE 6 3HD1 ILE 6 -11.291 -3.513 10.441
49 HD12 ILE 6 1HD1 ILE 6 -10.502 -4.323 9.087
50 HD13 ILE 6 2HD1 ILE 6 -12.233 -3.989 9.026
51 H ALA 7 H ALA 7 -6.925 -1.177 7.734
52 HA ALA 7 HA ALA 7 -5.545 0.221 9.741
53 HB1 ALA 7 3HB ALA 7 -3.521 -0.301 8.466
54 HB2 ALA 7 1HB ALA 7 -4.514 -0.774 7.088
55 HB3 ALA 7 2HB ALA 7 -4.588 -1.703 8.587
56 H SER 8 H SER 8 -6.108 0.996 6.320
57 HA SER 8 HA SER 8 -4.671 3.422 6.307
58 HB2 SER 8 2HB SER 8 -6.961 2.536 4.536
59 HB3 SER 8 1HB SER 8 -5.864 3.875 4.200
60 HG SER 8 HG SER 8 -5.322 1.835 3.166
61 H ASN 9 H ASN 9 -7.906 2.598 7.277
62 HA ASN 9 HA ASN 9 -9.024 5.197 7.237
63 HB2 ASN 9 2HB ASN 9 -10.434 3.210 7.356
64 HB3 ASN 9 1HB ASN 9 -9.745 2.781 8.918
65 HD21 ASN 9 1HD2 ASN 9 -11.662 2.848 10.016
66 HD22 ASN 9 2HD2 ASN 9 -12.530 4.311 10.316
67 H ILE 10 H ILE 10 -7.347 3.353 9.750
68 HA ILE 10 HA ILE 10 -7.628 5.490 11.678
69 HB ILE 10 HB ILE 10 -5.902 3.020 11.899
70 HG12 ILE 10 2HG1 ILE 10 -8.752 3.397 12.855
71 HG13 ILE 10 1HG1 ILE 10 -8.300 2.483 11.421
72 HG21 ILE 10 1HG2 ILE 10 -6.202 3.404 14.330
73 HG22 ILE 10 2HG2 ILE 10 -7.041 4.908 13.956
74 HG23 ILE 10 3HG2 ILE 10 -5.344 4.715 13.520
75 HD11 ILE 10 3HD1 ILE 10 -7.478 1.839 14.242
76 HD12 ILE 10 1HD1 ILE 10 -7.058 0.914 12.801
77 HD13 ILE 10 2HD1 ILE 10 -8.742 1.028 13.317
78 H GLY 11 H GLY 11 -5.184 4.273 9.473
79 HA2 GLY 11 2HA GLY 11 -3.026 5.821 10.561
80 HA3 GLY 11 1HA GLY 11 -3.027 4.972 9.024
81 H GLY 12 H GLY 12 -4.653 6.052 7.396
82 HA2 GLY 12 2HA GLY 12 -5.618 8.285 6.867
83 HA3 GLY 12 1HA GLY 12 -4.126 8.954 7.507
84 H LYS 13 H LYS 13 -2.591 6.697 6.217
85 HA LYS 13 HA LYS 13 -2.537 7.908 3.532
86 HB2 LYS 13 2HB LYS 13 -0.338 6.350 4.899
87 HB3 LYS 13 1HB LYS 13 -0.220 7.228 3.382
88 HG2 LYS 13 2HG LYS 13 0.697 8.806 4.699
89 HG3 LYS 13 1HG LYS 13 -0.991 9.230 4.990
90 HD2 LYS 13 2HD LYS 13 0.042 9.126 7.116
91 HD3 LYS 13 1HD LYS 13 -0.914 7.649 6.962
92 HE2 LYS 13 2HE LYS 13 1.461 6.841 5.938
93 HE3 LYS 13 1HE LYS 13 1.998 8.019 7.136
94 HZ1 LYS 13 3HZ LYS 13 1.893 5.992 8.252
95 HZ2 LYS 13 1HZ LYS 13 0.405 5.563 7.569
96 HZ3 LYS 13 2HZ LYS 13 0.487 6.799 8.722
97 H GLN 14 H GLN 14 -3.795 6.712 2.268
98 HA GLN 14 HA GLN 14 -4.390 4.002 2.539
99 HB2 GLN 14 2HB GLN 14 -4.363 5.555 -0.052
100 HB3 GLN 14 1HB GLN 14 -5.310 4.119 0.307
101 HG2 GLN 14 2HG GLN 14 -5.646 6.683 1.830
102 HG3 GLN 14 1HG GLN 14 -6.511 6.357 0.331
103 HE21 GLN 14 1HE2 GLN 14 -7.536 6.777 3.014
104 HE22 GLN 14 2HE2 GLN 14 -8.443 5.361 3.415
105 H ALA 15 H ALA 15 -1.996 5.578 0.442
106 HA ALA 15 HA ALA 15 -1.066 3.101 -0.650
107 HB1 ALA 15 3HB ALA 15 0.617 4.459 -1.780
108 HB2 ALA 15 1HB ALA 15 0.134 5.855 -0.820
109 HB3 ALA 15 2HB ALA 15 -0.999 5.136 -1.961
110 H LEU 16 H LEU 16 -0.656 4.113 2.399
111 HA LEU 16 HA LEU 16 2.075 3.008 2.499
112 HB2 LEU 16 2HB LEU 16 1.153 5.520 3.458
113 HB3 LEU 16 1HB LEU 16 1.584 4.531 4.842
114 HG LEU 16 HG LEU 16 3.382 5.257 2.525
115 HD11 LEU 16 1HD1 LEU 16 3.530 5.971 5.444
116 HD12 LEU 16 2HD1 LEU 16 2.980 7.043 4.157
117 HD13 LEU 16 3HD1 LEU 16 4.648 6.473 4.177
118 HD21 LEU 16 3HD2 LEU 16 5.141 4.133 3.943
119 HD22 LEU 16 1HD2 LEU 16 3.994 3.055 3.152
120 HD23 LEU 16 2HD2 LEU 16 3.822 3.420 4.866
121 H GLU 17 H GLU 17 -1.052 3.245 4.104
122 HA GLU 17 HA GLU 17 -0.351 1.360 6.144
123 HB2 GLU 17 2HB GLU 17 -2.782 2.835 5.311
124 HB3 GLU 17 1HB GLU 17 -3.044 1.325 6.172
125 HG2 GLU 17 2HG GLU 17 -3.059 3.135 7.735
126 HG3 GLU 17 1HG GLU 17 -1.620 2.154 8.001
127 H THR 18 H THR 18 -2.104 1.247 3.086
128 HA THR 18 HA THR 18 -2.879 -1.467 3.256
129 HB THR 18 HB THR 18 -2.516 0.301 0.832
130 HG1 THR 18 HG1 THR 18 -4.382 0.184 2.813
131 HG21 THR 18 3HG2 THR 18 -4.418 -1.975 0.863
132 HG22 THR 18 1HG2 THR 18 -2.709 -2.343 0.647
133 HG23 THR 18 2HG2 THR 18 -3.529 -1.265 -0.481
134 H VAL 19 H VAL 19 -0.020 0.137 1.895
135 HA VAL 19 HA VAL 19 0.994 -2.161 0.599
136 HB VAL 19 HB VAL 19 1.701 0.216 0.120
137 HG11 VAL 19 1HG1 VAL 19 2.149 0.904 2.433
138 HG12 VAL 19 2HG1 VAL 19 3.536 1.167 1.378
139 HG13 VAL 19 3HG1 VAL 19 3.517 -0.205 2.488
140 HG21 VAL 19 3HG2 VAL 19 4.017 -0.426 -0.449
141 HG22 VAL 19 1HG2 VAL 19 2.833 -1.661 -0.884
142 HG23 VAL 19 2HG2 VAL 19 3.835 -1.868 0.553
143 H GLN 20 H GLN 20 1.320 -0.940 3.881
144 HA GLN 20 HA GLN 20 3.437 -2.687 4.634
145 HB2 GLN 20 2HB GLN 20 3.058 -0.726 5.968
146 HB3 GLN 20 1HB GLN 20 1.382 -1.179 6.252
147 HG2 GLN 20 2HG GLN 20 2.133 -3.117 7.548
148 HG3 GLN 20 1HG GLN 20 3.807 -2.633 7.283
149 HE21 GLN 20 1HE2 GLN 20 4.115 -2.501 9.521
150 HE22 GLN 20 2HE2 GLN 20 3.527 -1.157 10.436
151 H ARG 21 H ARG 21 -0.049 -2.925 4.602
152 HA ARG 21 HA ARG 21 -0.155 -5.343 6.129
153 HB2 ARG 21 2HB ARG 21 -2.009 -3.709 6.052
154 HB3 ARG 21 1HB ARG 21 -2.258 -4.099 4.356
155 HG2 ARG 21 2HG ARG 21 -3.887 -5.251 5.702
156 HG3 ARG 21 1HG ARG 21 -2.777 -6.423 4.992
157 HD2 ARG 21 2HD ARG 21 -2.035 -5.386 7.650
158 HD3 ARG 21 1HD ARG 21 -3.476 -6.397 7.596
159 HE ARG 21 HE ARG 21 -1.192 -7.509 6.231
160 HH11 ARG 21 1HH1 ARG 21 -2.883 -7.209 9.279
161 HH12 ARG 21 2HH1 ARG 21 -2.230 -8.675 9.938
162 HH21 ARG 21 1HH2 ARG 21 -0.316 -9.441 7.094
163 HH22 ARG 21 2HH2 ARG 21 -0.778 -9.951 8.690
164 H LEU 22 H LEU 22 -0.071 -4.544 2.695
165 HA LEU 22 HA LEU 22 -0.557 -7.312 1.955
166 HB2 LEU 22 2HB LEU 22 -0.295 -4.746 0.468
167 HB3 LEU 22 1HB LEU 22 -0.028 -6.248 -0.393
168 HG LEU 22 HG LEU 22 -2.554 -5.550 1.111
169 HD11 LEU 22 1HD1 LEU 22 -1.969 -5.543 -1.848
170 HD12 LEU 22 2HD1 LEU 22 -2.295 -4.134 -0.843
171 HD13 LEU 22 3HD1 LEU 22 -3.559 -5.330 -1.119
172 HD21 LEU 22 3HD2 LEU 22 -1.803 -7.889 -0.634
173 HD22 LEU 22 1HD2 LEU 22 -3.457 -7.507 -0.153
174 HD23 LEU 22 2HD2 LEU 22 -2.256 -7.920 1.070
175 H LEU 23 H LEU 23 2.142 -5.370 2.649
176 HA LEU 23 HA LEU 23 4.085 -6.327 0.922
177 HB2 LEU 23 2HB LEU 23 4.469 -4.462 2.435
178 HB3 LEU 23 1HB LEU 23 4.384 -5.531 3.818
179 HG LEU 23 HG LEU 23 6.404 -6.734 2.834
180 HD11 LEU 23 1HD1 LEU 23 7.801 -5.421 1.326
181 HD12 LEU 23 2HD1 LEU 23 6.535 -4.202 1.202
182 HD13 LEU 23 3HD1 LEU 23 6.259 -5.827 0.577
183 HD21 LEU 23 3HD2 LEU 23 6.639 -3.879 3.766
184 HD22 LEU 23 1HD2 LEU 23 7.960 -5.048 3.729
185 HD23 LEU 23 2HD2 LEU 23 6.571 -5.320 4.778
186 HA PRO 24 HA PRO 24 5.100 -9.947 4.003
187 HB2 PRO 24 2HB PRO 24 3.138 -10.644 5.771
188 HB3 PRO 24 1HB PRO 24 4.457 -9.536 6.160
189 HG2 PRO 24 2HG PRO 24 1.647 -8.914 5.339
190 HG3 PRO 24 1HG PRO 24 2.625 -8.182 6.626
191 HD2 PRO 24 2HD PRO 24 2.297 -6.975 4.255
192 HD3 PRO 24 1HD PRO 24 3.829 -6.880 5.144
193 H VAL 25 H VAL 25 2.324 -9.325 2.231
194 HA VAL 25 HA VAL 25 1.504 -12.131 2.069
195 HB VAL 25 HB VAL 25 0.297 -9.689 0.745
196 HG11 VAL 25 1HG1 VAL 25 -1.622 -11.147 0.293
197 HG12 VAL 25 2HG1 VAL 25 -0.734 -12.516 0.968
198 HG13 VAL 25 3HG1 VAL 25 -0.157 -11.727 -0.501
199 HG21 VAL 25 3HG2 VAL 25 0.086 -9.608 3.174
200 HG22 VAL 25 1HG2 VAL 25 -0.611 -11.229 3.173
201 HG23 VAL 25 2HG2 VAL 25 -1.480 -9.897 2.412
202 H LEU 26 H LEU 26 2.405 -9.466 -0.124
203 HA LEU 26 HA LEU 26 2.733 -11.181 -2.369
204 HB2 LEU 26 2HB LEU 26 3.068 -8.326 -1.786
205 HB3 LEU 26 1HB LEU 26 4.164 -8.944 -3.005
206 HG LEU 26 HG LEU 26 2.205 -8.012 -4.067
207 HD11 LEU 26 1HD1 LEU 26 1.603 -9.820 -5.481
208 HD12 LEU 26 2HD1 LEU 26 1.980 -11.007 -4.232
209 HD13 LEU 26 3HD1 LEU 26 3.278 -10.081 -4.988
210 HD21 LEU 26 3HD2 LEU 26 0.618 -8.203 -2.253
211 HD22 LEU 26 1HD2 LEU 26 0.623 -9.962 -2.400
212 HD23 LEU 26 2HD2 LEU 26 -0.027 -8.970 -3.703
213 H CYS 27 H CYS 27 4.906 -9.931 0.104
214 HA CYS 27 HA CYS 27 7.277 -10.794 -1.239
215 HB2 CYS 27 2HB CYS 27 8.467 -10.141 0.694
216 HB3 CYS 27 1HB CYS 27 7.130 -9.004 0.578
217 HG CYS 27 HG CYS 27 6.832 -9.288 3.134
218 H GLN 28 H GLN 28 4.880 -12.359 0.618
219 HA GLN 28 HA GLN 28 6.584 -14.571 1.391
220 HB2 GLN 28 2HB GLN 28 4.582 -13.658 2.728
221 HB3 GLN 28 1HB GLN 28 3.583 -14.527 1.571
222 HG2 GLN 28 2HG GLN 28 3.941 -15.838 3.591
223 HG3 GLN 28 1HG GLN 28 4.657 -16.618 2.181
224 HE21 GLN 28 1HE2 GLN 28 6.081 -17.814 3.414
225 HE22 GLN 28 2HE2 GLN 28 7.458 -17.103 4.188
226 H ALA 29 H ALA 29 3.895 -13.971 -0.839
227 HA ALA 29 HA ALA 29 3.920 -16.617 -1.907
228 HB1 ALA 29 3HB ALA 29 2.337 -15.777 -3.535
229 HB2 ALA 29 1HB ALA 29 2.713 -14.115 -3.077
230 HB3 ALA 29 2HB ALA 29 1.917 -15.188 -1.925
231 H HIS 30 H HIS 30 5.327 -13.532 -2.882
232 HA HIS 30 HA HIS 30 6.756 -14.967 -5.022
233 HB2 HIS 30 2HB HIS 30 5.681 -12.162 -4.931
234 HB3 HIS 30 1HB HIS 30 7.005 -12.580 -6.010
235 HD1 HIS 30 HD1 HIS 30 6.317 -13.386 -8.253
236 HD2 HIS 30 HD2 HIS 30 3.310 -13.888 -5.429
237 HE1 HIS 30 HE1 HIS 30 4.334 -14.262 -9.527
238 HE2 HIS 30 HE2 HIS 30 2.571 -14.687 -7.777
239 H GLY 31 H GLY 31 7.231 -11.833 -3.376
240 HA2 GLY 31 2HA GLY 31 9.032 -11.673 -1.698
241 HA3 GLY 31 1HA GLY 31 9.967 -12.748 -2.722
242 H LEU 32 H LEU 32 8.860 -11.221 -5.109
243 HA LEU 32 HA LEU 32 11.044 -9.497 -5.509
244 HB2 LEU 32 2HB LEU 32 9.721 -10.590 -7.304
245 HB3 LEU 32 1HB LEU 32 8.393 -9.505 -6.956
246 HG LEU 32 HG LEU 32 10.044 -7.609 -7.499
247 HD11 LEU 32 1HD1 LEU 32 12.077 -8.965 -7.448
248 HD12 LEU 32 2HD1 LEU 32 11.850 -8.208 -9.022
249 HD13 LEU 32 3HD1 LEU 32 11.475 -9.915 -8.806
250 HD21 LEU 32 3HD2 LEU 32 8.159 -8.190 -8.925
251 HD22 LEU 32 1HD2 LEU 32 9.097 -9.493 -9.657
252 HD23 LEU 32 2HD2 LEU 32 9.580 -7.815 -9.904
253 H THR 33 H THR 33 8.166 -9.011 -3.806
254 HA THR 33 HA THR 33 7.046 -7.248 -2.948
255 HB THR 33 HB THR 33 8.511 -5.366 -2.075
256 HG1 THR 33 HG1 THR 33 10.225 -6.307 -3.803
257 HG21 THR 33 3HG2 THR 33 7.903 -7.274 -0.696
258 HG22 THR 33 1HG2 THR 33 9.563 -6.785 -0.367
259 HG23 THR 33 2HG2 THR 33 9.245 -8.206 -1.360
260 HA PRO 34 HA PRO 34 7.022 -4.722 -6.829
261 HB2 PRO 34 2HB PRO 34 4.774 -5.639 -7.948
262 HB3 PRO 34 1HB PRO 34 6.301 -6.513 -8.111
263 HG2 PRO 34 2HG PRO 34 3.972 -7.081 -6.341
264 HG3 PRO 34 1HG PRO 34 5.033 -8.210 -7.196
265 HD2 PRO 34 2HD PRO 34 5.229 -7.523 -4.500
266 HD3 PRO 34 1HD PRO 34 6.509 -8.282 -5.466
267 H GLU 35 H GLU 35 5.032 -5.240 -4.151
268 HA GLU 35 HA GLU 35 2.856 -3.515 -4.682
269 HB2 GLU 35 2HB GLU 35 3.687 -3.575 -1.877
270 HB3 GLU 35 1HB GLU 35 2.166 -4.064 -2.600
271 HG2 GLU 35 2HG GLU 35 2.967 -6.007 -1.631
272 HG3 GLU 35 1HG GLU 35 3.416 -6.178 -3.328
273 H GLN 36 H GLN 36 5.759 -3.030 -2.691
274 HA GLN 36 HA GLN 36 5.391 -0.273 -2.298
275 HB2 GLN 36 2HB GLN 36 7.892 -0.294 -1.796
276 HB3 GLN 36 1HB GLN 36 6.877 -1.356 -0.829
277 HG2 GLN 36 2HG GLN 36 8.148 -3.069 -1.389
278 HG3 GLN 36 1HG GLN 36 7.712 -2.833 -3.081
279 HE21 GLN 36 1HE2 GLN 36 9.702 -3.437 -3.850
280 HE22 GLN 36 2HE2 GLN 36 11.118 -2.456 -3.661
281 H VAL 37 H VAL 37 6.752 -2.047 -4.949
282 HA VAL 37 HA VAL 37 8.233 0.024 -6.157
283 HB VAL 37 HB VAL 37 6.934 -2.410 -7.396
284 HG11 VAL 37 1HG1 VAL 37 7.345 -0.707 -9.097
285 HG12 VAL 37 2HG1 VAL 37 8.450 -2.067 -9.285
286 HG13 VAL 37 3HG1 VAL 37 9.017 -0.565 -8.560
287 HG21 VAL 37 3HG2 VAL 37 8.605 -2.946 -5.709
288 HG22 VAL 37 1HG2 VAL 37 9.771 -1.890 -6.510
289 HG23 VAL 37 2HG2 VAL 37 9.199 -3.348 -7.320
290 H VAL 38 H VAL 38 4.840 -0.986 -6.506
291 HA VAL 38 HA VAL 38 4.442 1.197 -8.412
292 HB VAL 38 HB VAL 38 3.555 -0.932 -9.119
293 HG11 VAL 38 1HG1 VAL 38 3.159 -1.986 -6.980
294 HG12 VAL 38 2HG1 VAL 38 1.689 -2.015 -7.953
295 HG13 VAL 38 3HG1 VAL 38 1.852 -0.852 -6.636
296 HG21 VAL 38 3HG2 VAL 38 1.233 -0.282 -9.588
297 HG22 VAL 38 1HG2 VAL 38 2.365 1.044 -9.849
298 HG23 VAL 38 2HG2 VAL 38 1.367 1.009 -8.395
299 H ALA 39 H ALA 39 3.231 0.110 -5.253
300 HA ALA 39 HA ALA 39 1.230 2.072 -4.977
301 HB1 ALA 39 3HB ALA 39 1.322 0.067 -3.582
302 HB2 ALA 39 1HB ALA 39 1.249 1.535 -2.608
303 HB3 ALA 39 2HB ALA 39 2.780 0.681 -2.798
304 H ILE 40 H ILE 40 4.546 2.024 -3.639
305 HA ILE 40 HA ILE 40 4.370 4.604 -2.515
306 HB ILE 40 HB ILE 40 6.846 3.090 -3.354
307 HG12 ILE 40 2HG1 ILE 40 5.495 1.840 -1.746
308 HG13 ILE 40 1HG1 ILE 40 6.967 2.428 -0.984
309 HG21 ILE 40 1HG2 ILE 40 8.055 4.525 -1.814
310 HG22 ILE 40 2HG2 ILE 40 6.569 5.391 -1.425
311 HG23 ILE 40 3HG2 ILE 40 7.250 5.494 -3.048
312 HD11 ILE 40 3HD1 ILE 40 4.169 3.464 -0.652
313 HD12 ILE 40 1HD1 ILE 40 5.594 4.340 -0.093
314 HD13 ILE 40 2HD1 ILE 40 5.223 2.747 0.566
315 H ALA 41 H ALA 41 5.457 3.455 -5.677
316 HA ALA 41 HA ALA 41 6.510 5.913 -6.586
317 HB1 ALA 41 3HB ALA 41 7.023 3.780 -7.667
318 HB2 ALA 41 1HB ALA 41 6.385 4.955 -8.818
319 HB3 ALA 41 2HB ALA 41 5.351 3.659 -8.217
320 H SER 42 H SER 42 3.257 4.626 -6.477
321 HA SER 42 HA SER 42 2.181 6.667 -8.201
322 HB2 SER 42 2HB SER 42 0.765 4.719 -6.364
323 HB3 SER 42 1HB SER 42 -0.008 5.716 -7.599
324 HG SER 42 HG SER 42 1.793 3.552 -7.932
325 H HIS 43 H HIS 43 2.996 6.410 -4.896
326 HA HIS 43 HA HIS 43 1.203 8.581 -4.116
327 HB2 HIS 43 2HB HIS 43 1.436 6.604 -2.631
328 HB3 HIS 43 1HB HIS 43 3.139 6.993 -2.420
329 HD1 HIS 43 HD1 HIS 43 -0.293 8.388 -1.614
330 HD2 HIS 43 HD2 HIS 43 3.679 8.859 -0.478
331 HE1 HIS 43 HE1 HIS 43 -0.340 9.865 0.415
332 HE2 HIS 43 HE2 HIS 43 2.076 10.272 0.976
333 H ASP 44 H ASP 44 4.672 7.831 -3.708
334 HA ASP 44 HA ASP 44 5.285 10.616 -3.259
335 HB2 ASP 44 2HB ASP 44 6.946 8.103 -3.368
336 HB3 ASP 44 1HB ASP 44 7.683 9.699 -3.250
337 H GLY 45 H GLY 45 4.515 9.087 -5.967
338 HA2 GLY 45 2HA GLY 45 6.236 10.837 -7.588
339 HA3 GLY 45 1HA GLY 45 6.038 9.142 -8.028
340 H GLY 46 H GLY 46 3.372 10.779 -6.600
341 HA2 GLY 46 2HA GLY 46 2.167 11.747 -8.999
342 HA3 GLY 46 1HA GLY 46 1.539 10.162 -8.566
343 H LYS 47 H LYS 47 0.562 9.901 -6.471
344 HA LYS 47 HA LYS 47 -1.100 12.154 -5.800
345 HB2 LYS 47 2HB LYS 47 -1.881 9.754 -5.858
346 HB3 LYS 47 1HB LYS 47 -0.936 9.472 -4.405
347 HG2 LYS 47 2HG LYS 47 -3.095 9.814 -3.608
348 HG3 LYS 47 1HG LYS 47 -2.311 11.375 -3.369
349 HD2 LYS 47 2HD LYS 47 -4.419 11.880 -4.277
350 HD3 LYS 47 1HD LYS 47 -3.292 12.032 -5.625
351 HE2 LYS 47 2HE LYS 47 -3.974 9.980 -6.562
352 HE3 LYS 47 1HE LYS 47 -4.801 9.489 -5.085
353 HZ1 LYS 47 3HZ LYS 47 -6.501 11.063 -5.467
354 HZ2 LYS 47 1HZ LYS 47 -6.270 10.261 -6.934
355 HZ3 LYS 47 2HZ LYS 47 -5.647 11.816 -6.714
356 H GLN 48 H GLN 48 1.140 13.223 -5.307
357 HA GLN 48 HA GLN 48 1.659 12.957 -2.415
358 HB2 GLN 48 2HB GLN 48 3.913 13.935 -2.917
359 HB3 GLN 48 1HB GLN 48 3.651 12.343 -3.614
360 HG2 GLN 48 2HG GLN 48 3.138 13.410 -5.779
361 HG3 GLN 48 1HG GLN 48 3.505 14.975 -5.062
362 HE21 GLN 48 1HE2 GLN 48 5.701 13.919 -3.459
363 HE22 GLN 48 2HE2 GLN 48 7.008 13.662 -4.559
364 H ALA 49 H ALA 49 1.180 15.131 -5.122
365 HA ALA 49 HA ALA 49 0.936 17.378 -3.245
366 HB1 ALA 49 3HB ALA 49 1.244 18.828 -5.228
367 HB2 ALA 49 1HB ALA 49 1.471 17.383 -6.213
368 HB3 ALA 49 2HB ALA 49 2.621 17.764 -4.932
369 H LEU 50 H LEU 50 -0.945 15.152 -4.461
370 HA LEU 50 HA LEU 50 -3.133 16.966 -5.212
371 HB2 LEU 50 2HB LEU 50 -2.622 14.059 -5.808
372 HB3 LEU 50 1HB LEU 50 -4.210 14.768 -6.005
373 HG LEU 50 HG LEU 50 -3.285 14.772 -8.156
374 HD11 LEU 50 1HD1 LEU 50 -3.113 17.059 -8.768
375 HD12 LEU 50 2HD1 LEU 50 -2.616 17.519 -7.139
376 HD13 LEU 50 3HD1 LEU 50 -4.260 16.949 -7.433
377 HD21 LEU 50 3HD2 LEU 50 -1.041 15.613 -8.682
378 HD22 LEU 50 1HD2 LEU 50 -0.997 14.233 -7.583
379 HD23 LEU 50 2HD2 LEU 50 -0.745 15.866 -6.963
380 H GLU 51 H GLU 51 -1.970 15.821 -2.524
381 HA GLU 51 HA GLU 51 -4.589 15.481 -1.307
382 HB2 GLU 51 2HB GLU 51 -3.677 13.575 0.093
383 HB3 GLU 51 1HB GLU 51 -4.022 13.190 -1.587
384 HG2 GLU 51 2HG GLU 51 -1.853 12.819 -2.089
385 HG3 GLU 51 1HG GLU 51 -1.269 14.058 -0.981
Start of MODEL 14
1 H1 GLU 1 1HT GLU 1 -15.948 -2.926 3.859
2 H2 GLU 1 2HT GLU 1 -15.491 -3.962 5.119
3 H3 GLU 1 3HT GLU 1 -15.166 -4.389 3.517
4 HA GLU 1 HA GLU 1 -13.680 -2.508 3.295
5 HB2 GLU 1 2HB GLU 1 -13.957 -2.189 6.283
6 HB3 GLU 1 1HB GLU 1 -13.086 -1.155 5.163
7 HG2 GLU 1 2HG GLU 1 -16.048 -1.405 5.549
8 HG3 GLU 1 1HG GLU 1 -15.029 0.019 5.738
9 H GLN 2 H GLN 2 -11.838 -3.488 2.978
10 HA GLN 2 HA GLN 2 -11.129 -5.839 4.487
11 HB2 GLN 2 2HB GLN 2 -9.218 -5.949 2.869
12 HB3 GLN 2 1HB GLN 2 -10.808 -5.942 2.119
13 HG2 GLN 2 2HG GLN 2 -9.293 -3.388 2.445
14 HG3 GLN 2 1HG GLN 2 -8.892 -4.496 1.138
15 HE21 GLN 2 1HE2 GLN 2 -10.366 -4.821 -0.524
16 HE22 GLN 2 2HE2 GLN 2 -11.702 -3.754 -0.790
17 H VAL 3 H VAL 3 -8.790 -6.117 5.156
18 HA VAL 3 HA VAL 3 -8.182 -4.430 7.260
19 HB VAL 3 HB VAL 3 -5.812 -5.439 7.073
20 HG11 VAL 3 1HG1 VAL 3 -6.641 -7.633 7.907
21 HG12 VAL 3 2HG1 VAL 3 -8.270 -7.144 7.441
22 HG13 VAL 3 3HG1 VAL 3 -7.399 -6.241 8.678
23 HG21 VAL 3 3HG2 VAL 3 -5.933 -6.017 4.693
24 HG22 VAL 3 1HG2 VAL 3 -7.241 -7.147 5.038
25 HG23 VAL 3 2HG2 VAL 3 -5.631 -7.438 5.692
26 H VAL 4 H VAL 4 -6.853 -4.333 3.968
27 HA VAL 4 HA VAL 4 -4.928 -2.340 4.532
28 HB VAL 4 HB VAL 4 -4.704 -2.027 2.134
29 HG11 VAL 4 1HG1 VAL 4 -5.042 -4.918 2.917
30 HG12 VAL 4 2HG1 VAL 4 -3.588 -3.937 3.092
31 HG13 VAL 4 3HG1 VAL 4 -4.184 -4.348 1.484
32 HG21 VAL 4 3HG2 VAL 4 -7.096 -3.841 1.841
33 HG22 VAL 4 1HG2 VAL 4 -6.126 -3.164 0.533
34 HG23 VAL 4 2HG2 VAL 4 -7.094 -2.101 1.553
35 H ALA 5 H ALA 5 -8.320 -2.159 4.120
36 HA ALA 5 HA ALA 5 -8.258 0.671 3.414
37 HB1 ALA 5 3HB ALA 5 -10.692 0.481 3.275
38 HB2 ALA 5 1HB ALA 5 -10.596 -1.180 3.861
39 HB3 ALA 5 2HB ALA 5 -9.895 -0.753 2.299
40 H ILE 6 H ILE 6 -8.998 -1.447 6.118
41 HA ILE 6 HA ILE 6 -10.095 0.606 7.776
42 HB ILE 6 HB ILE 6 -8.971 -2.095 8.535
43 HG12 ILE 6 2HG1 ILE 6 -11.827 -1.171 8.128
44 HG13 ILE 6 1HG1 ILE 6 -10.916 -2.204 7.032
45 HG21 ILE 6 1HG2 ILE 6 -8.955 -0.535 10.425
46 HG22 ILE 6 2HG2 ILE 6 -10.150 -1.812 10.650
47 HG23 ILE 6 3HG2 ILE 6 -10.666 -0.200 10.161
48 HD11 ILE 6 3HD1 ILE 6 -11.605 -2.907 9.870
49 HD12 ILE 6 1HD1 ILE 6 -10.826 -3.947 8.677
50 HD13 ILE 6 2HD1 ILE 6 -12.499 -3.436 8.443
51 H ALA 7 H ALA 7 -6.927 -0.961 7.522
52 HA ALA 7 HA ALA 7 -5.690 0.362 9.661
53 HB1 ALA 7 3HB ALA 7 -3.578 -0.293 8.634
54 HB2 ALA 7 1HB ALA 7 -4.418 -0.680 7.134
55 HB3 ALA 7 2HB ALA 7 -4.737 -1.620 8.589
56 H SER 8 H SER 8 -6.087 1.290 6.276
57 HA SER 8 HA SER 8 -4.398 3.590 6.493
58 HB2 SER 8 2HB SER 8 -5.532 4.163 4.259
59 HB3 SER 8 1HB SER 8 -4.535 2.708 4.323
60 HG SER 8 HG SER 8 -6.240 1.527 3.968
61 H ASN 9 H ASN 9 -7.809 2.937 6.874
62 HA ASN 9 HA ASN 9 -8.762 5.580 6.749
63 HB2 ASN 9 2HB ASN 9 -10.186 3.511 6.718
64 HB3 ASN 9 1HB ASN 9 -9.896 3.347 8.447
65 HD21 ASN 9 1HD2 ASN 9 -11.955 3.633 9.112
66 HD22 ASN 9 2HD2 ASN 9 -12.825 5.119 8.945
67 H ILE 10 H ILE 10 -7.335 3.710 9.340
68 HA ILE 10 HA ILE 10 -7.797 5.809 11.294
69 HB ILE 10 HB ILE 10 -6.180 3.274 11.612
70 HG12 ILE 10 2HG1 ILE 10 -8.483 2.719 11.021
71 HG13 ILE 10 1HG1 ILE 10 -8.175 2.332 12.711
72 HG21 ILE 10 1HG2 ILE 10 -6.491 3.627 13.999
73 HG22 ILE 10 2HG2 ILE 10 -7.382 5.114 13.674
74 HG23 ILE 10 3HG2 ILE 10 -5.673 5.000 13.258
75 HD11 ILE 10 3HD1 ILE 10 -9.648 4.741 11.671
76 HD12 ILE 10 1HD1 ILE 10 -9.312 4.407 13.369
77 HD13 ILE 10 2HD1 ILE 10 -10.359 3.328 12.447
78 H GLY 11 H GLY 11 -5.090 4.359 9.536
79 HA2 GLY 11 2HA GLY 11 -3.045 5.861 10.786
80 HA3 GLY 11 1HA GLY 11 -2.916 5.030 9.244
81 H GLY 12 H GLY 12 -4.814 6.385 7.747
82 HA2 GLY 12 2HA GLY 12 -5.378 8.605 7.031
83 HA3 GLY 12 1HA GLY 12 -3.949 9.197 7.868
84 H LYS 13 H LYS 13 -2.805 6.547 6.507
85 HA LYS 13 HA LYS 13 -2.159 7.874 3.958
86 HB2 LYS 13 2HB LYS 13 -0.302 5.960 5.355
87 HB3 LYS 13 1HB LYS 13 0.076 7.151 4.118
88 HG2 LYS 13 2HG LYS 13 -0.267 8.954 5.695
89 HG3 LYS 13 1HG LYS 13 -0.754 7.800 6.937
90 HD2 LYS 13 2HD LYS 13 1.963 7.950 5.631
91 HD3 LYS 13 1HD LYS 13 1.560 8.548 7.240
92 HE2 LYS 13 2HE LYS 13 1.502 5.685 6.293
93 HE3 LYS 13 1HE LYS 13 2.636 6.401 7.434
94 HZ1 LYS 13 3HZ LYS 13 1.067 5.253 8.714
95 HZ2 LYS 13 1HZ LYS 13 -0.246 5.843 7.828
96 HZ3 LYS 13 2HZ LYS 13 0.624 6.876 8.851
97 H GLN 14 H GLN 14 -3.529 6.819 2.613
98 HA GLN 14 HA GLN 14 -4.289 4.121 2.867
99 HB2 GLN 14 2HB GLN 14 -4.419 5.984 0.505
100 HB3 GLN 14 1HB GLN 14 -5.141 4.380 0.529
101 HG2 GLN 14 2HG GLN 14 -6.041 5.679 2.846
102 HG3 GLN 14 1HG GLN 14 -6.167 6.853 1.537
103 HE21 GLN 14 1HE2 GLN 14 -7.318 3.829 2.800
104 HE22 GLN 14 2HE2 GLN 14 -8.648 3.654 1.703
105 H ALA 15 H ALA 15 -1.964 5.632 0.624
106 HA ALA 15 HA ALA 15 -1.265 3.153 -0.583
107 HB1 ALA 15 3HB ALA 15 0.324 5.706 -0.562
108 HB2 ALA 15 1HB ALA 15 -0.981 5.334 -1.687
109 HB3 ALA 15 2HB ALA 15 0.490 4.362 -1.691
110 H LEU 16 H LEU 16 -0.006 4.882 2.207
111 HA LEU 16 HA LEU 16 2.359 3.240 2.321
112 HB2 LEU 16 2HB LEU 16 1.328 5.563 3.767
113 HB3 LEU 16 1HB LEU 16 2.219 4.434 4.771
114 HG LEU 16 HG LEU 16 3.325 5.557 2.201
115 HD11 LEU 16 1HD1 LEU 16 3.655 6.574 5.018
116 HD12 LEU 16 2HD1 LEU 16 2.928 7.429 3.658
117 HD13 LEU 16 3HD1 LEU 16 4.654 7.065 3.652
118 HD21 LEU 16 3HD2 LEU 16 5.466 4.851 3.170
119 HD22 LEU 16 1HD2 LEU 16 4.362 3.493 2.961
120 HD23 LEU 16 2HD2 LEU 16 4.611 4.188 4.561
121 H GLU 17 H GLU 17 -0.738 3.361 4.043
122 HA GLU 17 HA GLU 17 -0.030 1.307 5.877
123 HB2 GLU 17 2HB GLU 17 -2.467 2.792 5.176
124 HB3 GLU 17 1HB GLU 17 -2.758 1.151 5.730
125 HG2 GLU 17 2HG GLU 17 -2.885 2.672 7.585
126 HG3 GLU 17 1HG GLU 17 -1.481 1.626 7.770
127 H THR 18 H THR 18 -1.485 1.364 2.685
128 HA THR 18 HA THR 18 -2.202 -1.391 2.697
129 HB THR 18 HB THR 18 -3.045 0.604 1.174
130 HG1 THR 18 HG1 THR 18 -2.865 -1.876 -0.132
131 HG21 THR 18 3HG2 THR 18 -0.987 -0.713 -0.602
132 HG22 THR 18 1HG2 THR 18 -0.903 0.943 0.006
133 HG23 THR 18 2HG2 THR 18 -2.189 0.473 -1.102
134 H VAL 19 H VAL 19 0.695 0.388 1.710
135 HA VAL 19 HA VAL 19 1.844 -1.855 0.360
136 HB VAL 19 HB VAL 19 2.491 0.554 -0.065
137 HG11 VAL 19 1HG1 VAL 19 4.200 1.568 1.308
138 HG12 VAL 19 2HG1 VAL 19 4.183 0.182 2.400
139 HG13 VAL 19 3HG1 VAL 19 2.768 1.230 2.283
140 HG21 VAL 19 3HG2 VAL 19 3.762 -1.281 -0.993
141 HG22 VAL 19 1HG2 VAL 19 4.689 -1.427 0.500
142 HG23 VAL 19 2HG2 VAL 19 4.849 0.018 -0.499
143 H GLN 20 H GLN 20 1.809 -0.697 3.642
144 HA GLN 20 HA GLN 20 3.958 -2.394 4.521
145 HB2 GLN 20 2HB GLN 20 3.343 -0.216 5.611
146 HB3 GLN 20 1HB GLN 20 1.873 -0.983 6.196
147 HG2 GLN 20 2HG GLN 20 3.425 -1.019 7.980
148 HG3 GLN 20 1HG GLN 20 3.327 -2.663 7.355
149 HE21 GLN 20 1HE2 GLN 20 5.440 -1.311 8.879
150 HE22 GLN 20 2HE2 GLN 20 6.876 -1.463 7.928
151 H ARG 21 H ARG 21 0.463 -2.524 4.403
152 HA ARG 21 HA ARG 21 0.272 -4.906 5.993
153 HB2 ARG 21 2HB ARG 21 -1.589 -3.387 6.028
154 HB3 ARG 21 1HB ARG 21 -1.726 -3.435 4.275
155 HG2 ARG 21 2HG ARG 21 -3.484 -4.743 5.250
156 HG3 ARG 21 1HG ARG 21 -2.357 -5.814 4.418
157 HD2 ARG 21 2HD ARG 21 -1.269 -5.891 6.845
158 HD3 ARG 21 1HD ARG 21 -2.930 -5.526 7.309
159 HE ARG 21 HE ARG 21 -2.723 -7.690 5.438
160 HH11 ARG 21 1HH1 ARG 21 -2.618 -6.822 8.822
161 HH12 ARG 21 2HH1 ARG 21 -3.019 -8.416 9.372
162 HH21 ARG 21 1HH2 ARG 21 -3.241 -9.795 6.163
163 HH22 ARG 21 2HH2 ARG 21 -3.364 -10.105 7.864
164 H LEU 22 H LEU 22 0.305 -4.148 2.541
165 HA LEU 22 HA LEU 22 -0.229 -6.897 1.820
166 HB2 LEU 22 2HB LEU 22 0.435 -4.449 0.200
167 HB3 LEU 22 1HB LEU 22 0.240 -6.037 -0.518
168 HG LEU 22 HG LEU 22 -1.895 -4.573 1.033
169 HD11 LEU 22 1HD1 LEU 22 -2.964 -4.239 -1.137
170 HD12 LEU 22 2HD1 LEU 22 -1.580 -4.986 -1.937
171 HD13 LEU 22 3HD1 LEU 22 -1.383 -3.458 -1.077
172 HD21 LEU 22 3HD2 LEU 22 -1.916 -7.153 -0.526
173 HD22 LEU 22 1HD2 LEU 22 -3.366 -6.315 0.028
174 HD23 LEU 22 2HD2 LEU 22 -2.209 -6.943 1.202
175 H LEU 23 H LEU 23 2.477 -5.221 2.811
176 HA LEU 23 HA LEU 23 4.484 -6.216 1.141
177 HB2 LEU 23 2HB LEU 23 4.820 -4.374 2.739
178 HB3 LEU 23 1HB LEU 23 4.700 -5.508 4.070
179 HG LEU 23 HG LEU 23 6.739 -6.310 2.163
180 HD11 LEU 23 1HD1 LEU 23 8.321 -4.513 2.673
181 HD12 LEU 23 2HD1 LEU 23 7.042 -3.623 3.494
182 HD13 LEU 23 3HD1 LEU 23 6.935 -3.922 1.760
183 HD21 LEU 23 3HD2 LEU 23 6.817 -5.608 5.095
184 HD22 LEU 23 1HD2 LEU 23 8.085 -6.443 4.197
185 HD23 LEU 23 2HD2 LEU 23 6.512 -7.208 4.421
186 HA PRO 24 HA PRO 24 5.105 -9.915 4.233
187 HB2 PRO 24 2HB PRO 24 2.981 -10.523 5.841
188 HB3 PRO 24 1HB PRO 24 4.338 -9.517 6.356
189 HG2 PRO 24 2HG PRO 24 1.636 -8.691 5.359
190 HG3 PRO 24 1HG PRO 24 2.568 -8.048 6.724
191 HD2 PRO 24 2HD PRO 24 2.476 -6.774 4.367
192 HD3 PRO 24 1HD PRO 24 3.954 -6.799 5.352
193 H VAL 25 H VAL 25 2.253 -9.080 2.549
194 HA VAL 25 HA VAL 25 1.365 -11.816 2.158
195 HB VAL 25 HB VAL 25 0.371 -9.258 0.881
196 HG11 VAL 25 1HG1 VAL 25 -1.614 -10.576 0.292
197 HG12 VAL 25 2HG1 VAL 25 -0.840 -12.019 0.946
198 HG13 VAL 25 3HG1 VAL 25 -0.154 -11.211 -0.463
199 HG21 VAL 25 3HG2 VAL 25 0.044 -9.237 3.293
200 HG22 VAL 25 1HG2 VAL 25 -0.730 -10.817 3.217
201 HG23 VAL 25 2HG2 VAL 25 -1.497 -9.422 2.462
202 H LEU 26 H LEU 26 2.546 -9.136 0.144
203 HA LEU 26 HA LEU 26 2.801 -10.706 -2.200
204 HB2 LEU 26 2HB LEU 26 3.561 -7.973 -1.367
205 HB3 LEU 26 1HB LEU 26 4.474 -8.661 -2.692
206 HG LEU 26 HG LEU 26 2.666 -7.339 -3.580
207 HD11 LEU 26 1HD1 LEU 26 3.298 -9.530 -4.664
208 HD12 LEU 26 2HD1 LEU 26 1.708 -8.889 -5.074
209 HD13 LEU 26 3HD1 LEU 26 1.851 -10.214 -3.920
210 HD21 LEU 26 3HD2 LEU 26 1.234 -7.615 -1.503
211 HD22 LEU 26 1HD2 LEU 26 0.693 -9.141 -2.202
212 HD23 LEU 26 2HD2 LEU 26 0.393 -7.623 -3.053
213 H CYS 27 H CYS 27 4.981 -10.031 0.472
214 HA CYS 27 HA CYS 27 7.293 -11.006 -0.915
215 HB2 CYS 27 2HB CYS 27 8.486 -10.732 1.122
216 HB3 CYS 27 1HB CYS 27 7.347 -9.392 1.040
217 HG CYS 27 HG CYS 27 7.272 -10.003 3.655
218 H GLN 28 H GLN 28 4.710 -12.423 0.881
219 HA GLN 28 HA GLN 28 6.122 -14.922 1.297
220 HB2 GLN 28 2HB GLN 28 4.311 -13.830 2.834
221 HB3 GLN 28 1HB GLN 28 3.173 -14.565 1.711
222 HG2 GLN 28 2HG GLN 28 3.500 -16.001 3.608
223 HG3 GLN 28 1HG GLN 28 4.169 -16.761 2.165
224 HE21 GLN 28 1HE2 GLN 28 5.584 -18.064 3.272
225 HE22 GLN 28 2HE2 GLN 28 6.963 -17.456 4.122
226 H ALA 29 H ALA 29 3.445 -13.681 -0.659
227 HA ALA 29 HA ALA 29 2.943 -16.163 -1.973
228 HB1 ALA 29 3HB ALA 29 1.219 -14.444 -1.759
229 HB2 ALA 29 1HB ALA 29 1.496 -14.868 -3.448
230 HB3 ALA 29 2HB ALA 29 2.158 -13.369 -2.795
231 H HIS 30 H HIS 30 4.887 -13.315 -2.748
232 HA HIS 30 HA HIS 30 5.947 -14.799 -5.065
233 HB2 HIS 30 2HB HIS 30 5.277 -11.884 -4.786
234 HB3 HIS 30 1HB HIS 30 6.507 -12.407 -5.933
235 HD1 HIS 30 HD1 HIS 30 5.686 -13.178 -8.170
236 HD2 HIS 30 HD2 HIS 30 2.664 -13.092 -5.312
237 HE1 HIS 30 HE1 HIS 30 3.557 -13.680 -9.411
238 HE2 HIS 30 HE2 HIS 30 1.787 -13.822 -7.629
239 H GLY 31 H GLY 31 6.780 -12.073 -2.932
240 HA2 GLY 31 2HA GLY 31 8.709 -12.289 -1.459
241 HA3 GLY 31 1HA GLY 31 9.495 -13.218 -2.728
242 H LEU 32 H LEU 32 8.321 -11.283 -4.713
243 HA LEU 32 HA LEU 32 10.579 -9.552 -4.855
244 HB2 LEU 32 2HB LEU 32 8.064 -9.304 -6.486
245 HB3 LEU 32 1HB LEU 32 9.691 -8.826 -6.925
246 HG LEU 32 HG LEU 32 8.856 -11.699 -6.534
247 HD11 LEU 32 1HD1 LEU 32 8.776 -11.855 -8.963
248 HD12 LEU 32 2HD1 LEU 32 9.100 -10.126 -9.097
249 HD13 LEU 32 3HD1 LEU 32 7.595 -10.688 -8.369
250 HD21 LEU 32 3HD2 LEU 32 10.927 -12.155 -7.782
251 HD22 LEU 32 1HD2 LEU 32 11.236 -11.308 -6.267
252 HD23 LEU 32 2HD2 LEU 32 11.286 -10.429 -7.794
253 H THR 33 H THR 33 7.272 -9.196 -3.799
254 HA THR 33 HA THR 33 6.096 -7.505 -2.857
255 HB THR 33 HB THR 33 8.705 -6.208 -2.098
256 HG1 THR 33 HG1 THR 33 9.198 -8.073 -1.205
257 HG21 THR 33 3HG2 THR 33 6.589 -5.083 -1.492
258 HG22 THR 33 1HG2 THR 33 7.486 -5.621 -0.070
259 HG23 THR 33 2HG2 THR 33 6.084 -6.532 -0.627
260 HA PRO 34 HA PRO 34 6.996 -4.819 -6.612
261 HB2 PRO 34 2HB PRO 34 4.450 -4.972 -7.602
262 HB3 PRO 34 1HB PRO 34 5.747 -6.088 -8.045
263 HG2 PRO 34 2HG PRO 34 3.545 -6.439 -6.053
264 HG3 PRO 34 1HG PRO 34 4.190 -7.601 -7.226
265 HD2 PRO 34 2HD PRO 34 4.865 -7.684 -4.626
266 HD3 PRO 34 1HD PRO 34 6.018 -8.113 -5.905
267 H GLU 35 H GLU 35 4.567 -4.882 -4.121
268 HA GLU 35 HA GLU 35 3.311 -2.427 -4.590
269 HB2 GLU 35 2HB GLU 35 3.863 -3.666 -1.890
270 HB3 GLU 35 1HB GLU 35 2.593 -2.517 -2.279
271 HG2 GLU 35 2HG GLU 35 2.807 -5.402 -3.063
272 HG3 GLU 35 1HG GLU 35 1.537 -4.602 -2.141
273 H GLN 36 H GLN 36 6.425 -3.173 -3.218
274 HA GLN 36 HA GLN 36 6.839 -0.651 -1.949
275 HB2 GLN 36 2HB GLN 36 8.060 -2.875 -1.516
276 HB3 GLN 36 1HB GLN 36 9.027 -2.474 -2.928
277 HG2 GLN 36 2HG GLN 36 10.180 -1.829 -0.909
278 HG3 GLN 36 1HG GLN 36 9.746 -0.399 -1.842
279 HE21 GLN 36 1HE2 GLN 36 7.537 -2.263 0.159
280 HE22 GLN 36 2HE2 GLN 36 7.263 -1.025 1.332
281 H VAL 37 H VAL 37 6.586 -1.482 -5.141
282 HA VAL 37 HA VAL 37 8.276 0.781 -5.970
283 HB VAL 37 HB VAL 37 7.478 -1.580 -7.678
284 HG11 VAL 37 1HG1 VAL 37 9.437 0.661 -8.172
285 HG12 VAL 37 2HG1 VAL 37 7.864 0.465 -8.943
286 HG13 VAL 37 3HG1 VAL 37 9.145 -0.710 -9.245
287 HG21 VAL 37 3HG2 VAL 37 8.993 -2.330 -5.951
288 HG22 VAL 37 1HG2 VAL 37 10.099 -1.003 -6.304
289 HG23 VAL 37 2HG2 VAL 37 9.836 -2.274 -7.499
290 H VAL 38 H VAL 38 5.513 -1.105 -7.233
291 HA VAL 38 HA VAL 38 4.488 0.975 -8.795
292 HB VAL 38 HB VAL 38 3.889 -1.356 -9.188
293 HG11 VAL 38 1HG1 VAL 38 3.670 -2.163 -6.912
294 HG12 VAL 38 2HG1 VAL 38 2.186 -2.480 -7.814
295 HG13 VAL 38 3HG1 VAL 38 2.252 -1.142 -6.663
296 HG21 VAL 38 3HG2 VAL 38 1.479 -1.039 -9.617
297 HG22 VAL 38 1HG2 VAL 38 2.455 0.338 -10.134
298 HG23 VAL 38 2HG2 VAL 38 1.522 0.428 -8.639
299 H ALA 39 H ALA 39 3.512 -0.013 -5.497
300 HA ALA 39 HA ALA 39 1.446 1.954 -5.356
301 HB1 ALA 39 3HB ALA 39 1.372 -0.096 -4.016
302 HB2 ALA 39 1HB ALA 39 1.260 1.351 -3.013
303 HB3 ALA 39 2HB ALA 39 2.777 0.455 -3.104
304 H ILE 40 H ILE 40 4.751 1.773 -4.102
305 HA ILE 40 HA ILE 40 4.703 4.200 -2.680
306 HB ILE 40 HB ILE 40 7.023 2.699 -3.893
307 HG12 ILE 40 2HG1 ILE 40 5.852 1.450 -2.163
308 HG13 ILE 40 1HG1 ILE 40 7.415 1.983 -1.554
309 HG21 ILE 40 1HG2 ILE 40 8.475 4.017 -2.423
310 HG22 ILE 40 2HG2 ILE 40 7.087 4.989 -1.933
311 HG23 ILE 40 3HG2 ILE 40 7.647 5.032 -3.605
312 HD11 ILE 40 3HD1 ILE 40 4.712 3.131 -0.911
313 HD12 ILE 40 1HD1 ILE 40 6.237 3.880 -0.437
314 HD13 ILE 40 2HD1 ILE 40 5.813 2.281 0.172
315 H ALA 41 H ALA 41 5.810 3.480 -5.996
316 HA ALA 41 HA ALA 41 6.688 6.081 -6.602
317 HB1 ALA 41 3HB ALA 41 7.315 4.120 -7.924
318 HB2 ALA 41 1HB ALA 41 6.626 5.393 -8.934
319 HB3 ALA 41 2HB ALA 41 5.656 3.984 -8.507
320 H SER 42 H SER 42 3.527 4.530 -7.103
321 HA SER 42 HA SER 42 2.375 6.726 -8.474
322 HB2 SER 42 2HB SER 42 0.931 4.607 -6.873
323 HB3 SER 42 1HB SER 42 0.260 5.600 -8.167
324 HG SER 42 HG SER 42 1.941 3.378 -8.295
325 H HIS 43 H HIS 43 2.909 6.058 -5.121
326 HA HIS 43 HA HIS 43 0.955 7.958 -4.191
327 HB2 HIS 43 2HB HIS 43 1.387 6.110 -2.740
328 HB3 HIS 43 1HB HIS 43 3.121 6.408 -2.775
329 HD1 HIS 43 HD1 HIS 43 -0.081 7.918 -1.378
330 HD2 HIS 43 HD2 HIS 43 4.045 8.116 -0.850
331 HE1 HIS 43 HE1 HIS 43 0.282 9.323 0.671
332 HE2 HIS 43 HE2 HIS 43 2.779 9.604 0.839
333 H ASP 44 H ASP 44 4.532 7.844 -4.106
334 HA ASP 44 HA ASP 44 4.659 10.568 -3.221
335 HB2 ASP 44 2HB ASP 44 6.376 8.781 -2.698
336 HB3 ASP 44 1HB ASP 44 6.947 8.966 -4.356
337 H GLY 45 H GLY 45 5.342 8.939 -6.314
338 HA2 GLY 45 2HA GLY 45 5.810 11.547 -7.551
339 HA3 GLY 45 1HA GLY 45 6.094 9.982 -8.296
340 H GLY 46 H GLY 46 3.087 10.764 -6.668
341 HA2 GLY 46 2HA GLY 46 1.763 11.488 -9.131
342 HA3 GLY 46 1HA GLY 46 1.364 9.877 -8.554
343 H LYS 47 H LYS 47 0.283 9.649 -6.555
344 HA LYS 47 HA LYS 47 -1.595 11.790 -6.074
345 HB2 LYS 47 2HB LYS 47 -1.360 8.929 -5.418
346 HB3 LYS 47 1HB LYS 47 -2.188 9.900 -4.211
347 HG2 LYS 47 2HG LYS 47 -3.633 10.757 -6.120
348 HG3 LYS 47 1HG LYS 47 -2.938 9.451 -7.083
349 HD2 LYS 47 2HD LYS 47 -4.996 8.646 -6.183
350 HD3 LYS 47 1HD LYS 47 -3.693 7.857 -5.293
351 HE2 LYS 47 2HE LYS 47 -3.965 9.469 -3.469
352 HE3 LYS 47 1HE LYS 47 -5.258 10.265 -4.363
353 HZ1 LYS 47 3HZ LYS 47 -6.426 8.894 -2.976
354 HZ2 LYS 47 1HZ LYS 47 -5.268 7.662 -3.009
355 HZ3 LYS 47 2HZ LYS 47 -6.285 7.897 -4.335
356 H GLN 48 H GLN 48 1.107 12.437 -5.256
357 HA GLN 48 HA GLN 48 1.387 12.075 -2.459
358 HB2 GLN 48 2HB GLN 48 3.226 12.687 -4.101
359 HB3 GLN 48 1HB GLN 48 2.597 14.331 -4.048
360 HG2 GLN 48 2HG GLN 48 2.892 14.194 -1.531
361 HG3 GLN 48 1HG GLN 48 3.838 12.739 -1.835
362 HE21 GLN 48 1HE2 GLN 48 5.883 12.914 -2.636
363 HE22 GLN 48 2HE2 GLN 48 6.682 14.431 -2.873
364 H ALA 49 H ALA 49 0.439 14.939 -4.347
365 HA ALA 49 HA ALA 49 -0.401 16.378 -2.018
366 HB1 ALA 49 3HB ALA 49 0.494 17.534 -3.974
367 HB2 ALA 49 1HB ALA 49 -1.138 18.085 -3.604
368 HB3 ALA 49 2HB ALA 49 -0.868 16.967 -4.939
369 H LEU 50 H LEU 50 -1.776 13.896 -3.730
370 HA LEU 50 HA LEU 50 -4.529 14.807 -3.324
371 HB2 LEU 50 2HB LEU 50 -3.319 12.534 -4.878
372 HB3 LEU 50 1HB LEU 50 -5.032 12.586 -4.524
373 HG LEU 50 HG LEU 50 -4.787 13.411 -6.720
374 HD11 LEU 50 1HD1 LEU 50 -4.985 15.868 -4.998
375 HD12 LEU 50 2HD1 LEU 50 -6.291 14.706 -5.229
376 HD13 LEU 50 3HD1 LEU 50 -5.671 15.620 -6.604
377 HD21 LEU 50 3HD2 LEU 50 -3.273 15.221 -7.341
378 HD22 LEU 50 1HD2 LEU 50 -2.393 13.839 -6.687
379 HD23 LEU 50 2HD2 LEU 50 -2.652 15.271 -5.691
380 H GLU 51 H GLU 51 -2.184 13.217 -1.647
381 HA GLU 51 HA GLU 51 -4.184 11.712 -0.103
382 HB2 GLU 51 2HB GLU 51 -1.880 10.706 -1.427
383 HB3 GLU 51 1HB GLU 51 -1.567 10.626 0.299
384 HG2 GLU 51 2HG GLU 51 -3.779 9.456 0.537
385 HG3 GLU 51 1HG GLU 51 -3.815 9.353 -1.223
Start of MODEL 15
1 H1 GLU 1 1HT GLU 1 -14.972 -4.108 2.379
2 H2 GLU 1 2HT GLU 1 -13.970 -4.013 1.022
3 H3 GLU 1 3HT GLU 1 -14.964 -2.710 1.429
4 HA GLU 1 HA GLU 1 -12.618 -2.364 2.012
5 HB2 GLU 1 2HB GLU 1 -14.918 -1.806 3.499
6 HB3 GLU 1 1HB GLU 1 -13.760 -2.408 4.677
7 HG2 GLU 1 2HG GLU 1 -13.618 -0.005 4.504
8 HG3 GLU 1 1HG GLU 1 -12.128 -0.753 3.921
9 H GLN 2 H GLN 2 -11.169 -4.016 1.875
10 HA GLN 2 HA GLN 2 -11.216 -6.286 3.605
11 HB2 GLN 2 2HB GLN 2 -8.859 -6.618 2.669
12 HB3 GLN 2 1HB GLN 2 -10.198 -6.674 1.531
13 HG2 GLN 2 2HG GLN 2 -9.730 -4.421 0.805
14 HG3 GLN 2 1HG GLN 2 -8.455 -4.266 2.013
15 HE21 GLN 2 1HE2 GLN 2 -8.362 -4.039 -0.905
16 HE22 GLN 2 2HE2 GLN 2 -7.180 -5.192 -1.428
17 H VAL 3 H VAL 3 -9.062 -6.820 4.817
18 HA VAL 3 HA VAL 3 -8.946 -5.157 7.052
19 HB VAL 3 HB VAL 3 -6.945 -6.452 7.743
20 HG11 VAL 3 1HG1 VAL 3 -8.081 -8.645 7.826
21 HG12 VAL 3 2HG1 VAL 3 -9.261 -8.048 6.661
22 HG13 VAL 3 3HG1 VAL 3 -9.143 -7.305 8.254
23 HG21 VAL 3 3HG2 VAL 3 -7.247 -7.759 5.044
24 HG22 VAL 3 1HG2 VAL 3 -6.195 -8.324 6.341
25 HG23 VAL 3 2HG2 VAL 3 -5.896 -6.764 5.576
26 H VAL 4 H VAL 4 -6.782 -5.267 4.236
27 HA VAL 4 HA VAL 4 -4.940 -3.404 5.375
28 HB VAL 4 HB VAL 4 -3.797 -3.369 3.286
29 HG11 VAL 4 1HG1 VAL 4 -3.485 -5.416 4.505
30 HG12 VAL 4 2HG1 VAL 4 -3.555 -5.791 2.782
31 HG13 VAL 4 3HG1 VAL 4 -4.954 -6.102 3.806
32 HG21 VAL 4 3HG2 VAL 4 -6.231 -4.655 2.055
33 HG22 VAL 4 1HG2 VAL 4 -4.710 -4.323 1.228
34 HG23 VAL 4 2HG2 VAL 4 -5.704 -2.990 1.810
35 H ALA 5 H ALA 5 -7.946 -3.103 3.763
36 HA ALA 5 HA ALA 5 -7.519 -0.435 2.800
37 HB1 ALA 5 3HB ALA 5 -9.920 -0.459 2.309
38 HB2 ALA 5 1HB ALA 5 -10.074 -1.993 3.168
39 HB3 ALA 5 2HB ALA 5 -9.112 -1.900 1.691
40 H ILE 6 H ILE 6 -9.340 -1.882 5.492
41 HA ILE 6 HA ILE 6 -10.180 0.583 6.585
42 HB ILE 6 HB ILE 6 -10.647 -0.684 8.669
43 HG12 ILE 6 2HG1 ILE 6 -9.581 -3.074 7.151
44 HG13 ILE 6 1HG1 ILE 6 -8.728 -2.276 8.468
45 HG21 ILE 6 1HG2 ILE 6 -12.358 -2.155 7.696
46 HG22 ILE 6 2HG2 ILE 6 -11.597 -1.972 6.115
47 HG23 ILE 6 3HG2 ILE 6 -12.311 -0.572 6.918
48 HD11 ILE 6 3HD1 ILE 6 -10.569 -2.853 9.980
49 HD12 ILE 6 1HD1 ILE 6 -9.830 -4.278 9.251
50 HD13 ILE 6 2HD1 ILE 6 -11.384 -3.686 8.656
51 H ALA 7 H ALA 7 -7.320 -1.418 7.137
52 HA ALA 7 HA ALA 7 -6.318 -0.047 9.377
53 HB1 ALA 7 3HB ALA 7 -4.754 -1.492 7.242
54 HB2 ALA 7 1HB ALA 7 -5.498 -2.243 8.651
55 HB3 ALA 7 2HB ALA 7 -4.187 -1.085 8.861
56 H SER 8 H SER 8 -5.724 0.416 5.910
57 HA SER 8 HA SER 8 -3.885 2.544 6.237
58 HB2 SER 8 2HB SER 8 -5.592 1.931 3.818
59 HB3 SER 8 1HB SER 8 -4.084 2.847 3.849
60 HG SER 8 HG SER 8 -4.510 0.090 4.067
61 H ASN 9 H ASN 9 -7.379 2.419 5.740
62 HA ASN 9 HA ASN 9 -7.771 5.178 5.324
63 HB2 ASN 9 2HB ASN 9 -9.499 3.588 4.740
64 HB3 ASN 9 1HB ASN 9 -9.641 3.069 6.418
65 HD21 ASN 9 1HD2 ASN 9 -10.245 5.670 4.171
66 HD22 ASN 9 2HD2 ASN 9 -11.422 6.486 5.134
67 H ILE 10 H ILE 10 -8.103 3.209 8.279
68 HA ILE 10 HA ILE 10 -8.651 5.439 9.956
69 HB ILE 10 HB ILE 10 -7.656 2.684 10.708
70 HG12 ILE 10 2HG1 ILE 10 -9.795 2.602 9.530
71 HG13 ILE 10 1HG1 ILE 10 -10.027 2.227 11.232
72 HG21 ILE 10 1HG2 ILE 10 -8.895 4.840 12.418
73 HG22 ILE 10 2HG2 ILE 10 -7.232 4.252 12.507
74 HG23 ILE 10 3HG2 ILE 10 -8.571 3.188 12.944
75 HD11 ILE 10 3HD1 ILE 10 -11.805 3.635 10.462
76 HD12 ILE 10 1HD1 ILE 10 -10.654 4.831 9.867
77 HD13 ILE 10 2HD1 ILE 10 -10.802 4.533 11.598
78 H GLY 11 H GLY 11 -5.737 3.878 8.873
79 HA2 GLY 11 2HA GLY 11 -3.992 5.032 10.812
80 HA3 GLY 11 1HA GLY 11 -3.513 4.284 9.296
81 H GLY 12 H GLY 12 -4.970 5.938 7.534
82 HA2 GLY 12 2HA GLY 12 -5.185 8.332 7.079
83 HA3 GLY 12 1HA GLY 12 -3.715 8.570 8.016
84 H LYS 13 H LYS 13 -2.391 6.244 6.849
85 HA LYS 13 HA LYS 13 -1.548 7.524 4.363
86 HB2 LYS 13 2HB LYS 13 -0.243 5.101 5.568
87 HB3 LYS 13 1HB LYS 13 0.460 6.331 4.533
88 HG2 LYS 13 2HG LYS 13 0.180 7.951 6.431
89 HG3 LYS 13 1HG LYS 13 -0.256 6.571 7.436
90 HD2 LYS 13 2HD LYS 13 2.332 6.803 5.905
91 HD3 LYS 13 1HD LYS 13 2.140 7.244 7.601
92 HE2 LYS 13 2HE LYS 13 1.514 4.504 6.511
93 HE3 LYS 13 1HE LYS 13 3.083 4.947 7.178
94 HZ1 LYS 13 3HZ LYS 13 0.815 4.076 8.547
95 HZ2 LYS 13 1HZ LYS 13 1.072 5.694 8.996
96 HZ3 LYS 13 2HZ LYS 13 2.305 4.555 9.199
97 H GLN 14 H GLN 14 -3.434 6.918 3.219
98 HA GLN 14 HA GLN 14 -4.530 4.421 2.898
99 HB2 GLN 14 2HB GLN 14 -4.303 6.729 0.983
100 HB3 GLN 14 1HB GLN 14 -5.221 5.278 0.604
101 HG2 GLN 14 2HG GLN 14 -5.755 6.768 3.136
102 HG3 GLN 14 1HG GLN 14 -6.426 7.340 1.608
103 HE21 GLN 14 1HE2 GLN 14 -8.542 6.941 2.189
104 HE22 GLN 14 2HE2 GLN 14 -9.174 5.337 2.308
105 H ALA 15 H ALA 15 -2.126 5.865 0.679
106 HA ALA 15 HA ALA 15 -1.764 3.268 -0.573
107 HB1 ALA 15 3HB ALA 15 -0.570 5.946 -1.250
108 HB2 ALA 15 1HB ALA 15 -1.991 5.214 -1.994
109 HB3 ALA 15 2HB ALA 15 -0.404 4.474 -2.208
110 H LEU 16 H LEU 16 -0.614 4.097 2.218
111 HA LEU 16 HA LEU 16 2.102 3.129 1.598
112 HB2 LEU 16 2HB LEU 16 1.441 4.974 3.881
113 HB3 LEU 16 1HB LEU 16 3.028 4.436 3.384
114 HG LEU 16 HG LEU 16 1.242 6.185 1.690
115 HD11 LEU 16 1HD1 LEU 16 3.547 6.922 3.488
116 HD12 LEU 16 2HD1 LEU 16 1.861 7.403 3.677
117 HD13 LEU 16 3HD1 LEU 16 2.799 7.997 2.308
118 HD21 LEU 16 3HD2 LEU 16 3.321 6.585 0.432
119 HD22 LEU 16 1HD2 LEU 16 2.825 4.894 0.392
120 HD23 LEU 16 2HD2 LEU 16 4.144 5.401 1.446
121 H GLU 17 H GLU 17 -0.608 3.090 3.848
122 HA GLU 17 HA GLU 17 0.627 1.290 5.687
123 HB2 GLU 17 2HB GLU 17 -1.417 2.886 6.008
124 HB3 GLU 17 1HB GLU 17 -2.341 1.537 5.363
125 HG2 GLU 17 2HG GLU 17 -2.408 1.454 7.747
126 HG3 GLU 17 1HG GLU 17 -1.438 0.106 7.158
127 H THR 18 H THR 18 -1.407 0.959 2.841
128 HA THR 18 HA THR 18 -2.050 -1.750 3.088
129 HB THR 18 HB THR 18 -3.251 -0.500 1.463
130 HG1 THR 18 HG1 THR 18 -2.222 -2.781 0.902
131 HG21 THR 18 3HG2 THR 18 -0.625 -0.002 0.054
132 HG22 THR 18 1HG2 THR 18 -1.568 1.194 0.941
133 HG23 THR 18 2HG2 THR 18 -2.214 0.481 -0.535
134 H VAL 19 H VAL 19 0.734 -0.217 1.452
135 HA VAL 19 HA VAL 19 1.839 -2.692 0.593
136 HB VAL 19 HB VAL 19 2.420 -0.601 -0.542
137 HG11 VAL 19 1HG1 VAL 19 3.943 1.016 0.442
138 HG12 VAL 19 2HG1 VAL 19 3.931 0.116 1.959
139 HG13 VAL 19 3HG1 VAL 19 2.456 0.891 1.383
140 HG21 VAL 19 3HG2 VAL 19 4.796 -1.963 0.716
141 HG22 VAL 19 1HG2 VAL 19 4.844 -0.953 -0.730
142 HG23 VAL 19 2HG2 VAL 19 3.944 -2.472 -0.742
143 H GLN 20 H GLN 20 2.128 -0.751 3.482
144 HA GLN 20 HA GLN 20 4.414 -2.050 4.543
145 HB2 GLN 20 2HB GLN 20 3.710 0.166 5.301
146 HB3 GLN 20 1HB GLN 20 2.215 -0.506 5.932
147 HG2 GLN 20 2HG GLN 20 3.736 -0.116 7.739
148 HG3 GLN 20 1HG GLN 20 3.521 -1.850 7.527
149 HE21 GLN 20 1HE2 GLN 20 5.676 -0.442 8.826
150 HE22 GLN 20 2HE2 GLN 20 7.126 -0.898 8.000
151 H ARG 21 H ARG 21 0.964 -2.672 4.719
152 HA ARG 21 HA ARG 21 1.320 -4.762 6.696
153 HB2 ARG 21 2HB ARG 21 -0.722 -3.154 6.393
154 HB3 ARG 21 1HB ARG 21 -1.236 -4.334 5.197
155 HG2 ARG 21 2HG ARG 21 -2.302 -4.873 7.255
156 HG3 ARG 21 1HG ARG 21 -1.057 -6.090 6.968
157 HD2 ARG 21 2HD ARG 21 -0.786 -5.562 9.219
158 HD3 ARG 21 1HD ARG 21 0.449 -4.590 8.423
159 HE ARG 21 HE ARG 21 -2.037 -3.620 9.633
160 HH11 ARG 21 1HH1 ARG 21 0.990 -2.891 8.006
161 HH12 ARG 21 2HH1 ARG 21 0.943 -1.205 8.419
162 HH21 ARG 21 1HH2 ARG 21 -2.054 -1.397 10.192
163 HH22 ARG 21 2HH2 ARG 21 -0.766 -0.365 9.639
164 H LEU 22 H LEU 22 0.789 -4.528 3.225
165 HA LEU 22 HA LEU 22 0.391 -7.381 2.968
166 HB2 LEU 22 2HB LEU 22 0.506 -5.091 1.043
167 HB3 LEU 22 1HB LEU 22 0.564 -6.743 0.463
168 HG LEU 22 HG LEU 22 -1.663 -5.610 2.153
169 HD11 LEU 22 1HD1 LEU 22 -1.556 -6.113 -0.818
170 HD12 LEU 22 2HD1 LEU 22 -1.610 -4.535 -0.026
171 HD13 LEU 22 3HD1 LEU 22 -2.985 -5.633 0.099
172 HD21 LEU 22 3HD2 LEU 22 -1.545 -7.958 2.472
173 HD22 LEU 22 1HD2 LEU 22 -1.272 -8.245 0.752
174 HD23 LEU 22 2HD2 LEU 22 -2.843 -7.672 1.313
175 H LEU 23 H LEU 23 3.063 -5.339 3.197
176 HA LEU 23 HA LEU 23 4.898 -6.419 1.435
177 HB2 LEU 23 2HB LEU 23 5.417 -4.433 2.677
178 HB3 LEU 23 1HB LEU 23 5.332 -5.300 4.199
179 HG LEU 23 HG LEU 23 7.302 -6.697 3.265
180 HD11 LEU 23 1HD1 LEU 23 8.724 -5.498 1.690
181 HD12 LEU 23 2HD1 LEU 23 7.487 -4.254 1.519
182 HD13 LEU 23 3HD1 LEU 23 7.161 -5.898 0.974
183 HD21 LEU 23 3HD2 LEU 23 7.657 -3.808 4.048
184 HD22 LEU 23 1HD2 LEU 23 8.914 -5.044 4.092
185 HD23 LEU 23 2HD2 LEU 23 7.507 -5.181 5.145
186 HA PRO 24 HA PRO 24 6.329 -9.656 4.772
187 HB2 PRO 24 2HB PRO 24 4.469 -10.279 6.694
188 HB3 PRO 24 1HB PRO 24 5.792 -9.132 6.929
189 HG2 PRO 24 2HG PRO 24 2.927 -8.604 6.236
190 HG3 PRO 24 1HG PRO 24 3.977 -7.756 7.393
191 HD2 PRO 24 2HD PRO 24 3.479 -6.737 4.967
192 HD3 PRO 24 1HD PRO 24 5.079 -6.583 5.723
193 H VAL 25 H VAL 25 3.010 -9.369 3.728
194 HA VAL 25 HA VAL 25 2.495 -12.187 3.672
195 HB VAL 25 HB VAL 25 0.988 -10.007 2.221
196 HG11 VAL 25 1HG1 VAL 25 0.482 -12.241 1.421
197 HG12 VAL 25 2HG1 VAL 25 -0.887 -11.583 2.320
198 HG13 VAL 25 3HG1 VAL 25 0.171 -12.780 3.071
199 HG21 VAL 25 3HG2 VAL 25 0.549 -11.106 4.997
200 HG22 VAL 25 1HG2 VAL 25 -0.529 -9.992 4.152
201 HG23 VAL 25 2HG2 VAL 25 1.100 -9.479 4.592
202 H LEU 26 H LEU 26 2.965 -9.734 1.117
203 HA LEU 26 HA LEU 26 3.037 -11.643 -0.979
204 HB2 LEU 26 2HB LEU 26 3.619 -8.745 -0.728
205 HB3 LEU 26 1HB LEU 26 4.280 -9.581 -2.118
206 HG LEU 26 HG LEU 26 2.226 -8.618 -2.813
207 HD11 LEU 26 1HD1 LEU 26 1.466 -11.468 -2.246
208 HD12 LEU 26 2HD1 LEU 26 2.708 -11.045 -3.420
209 HD13 LEU 26 3HD1 LEU 26 1.057 -10.474 -3.642
210 HD21 LEU 26 3HD2 LEU 26 1.292 -8.243 -0.570
211 HD22 LEU 26 1HD2 LEU 26 0.889 -9.953 -0.466
212 HD23 LEU 26 2HD2 LEU 26 0.116 -8.937 -1.679
213 H CYS 27 H CYS 27 5.529 -10.230 1.057
214 HA CYS 27 HA CYS 27 7.732 -11.094 -0.504
215 HB2 CYS 27 2HB CYS 27 7.483 -10.356 2.408
216 HB3 CYS 27 1HB CYS 27 9.016 -10.804 1.668
217 HG CYS 27 HG CYS 27 7.920 -8.590 -0.333
218 H GLN 28 H GLN 28 5.862 -12.601 2.056
219 HA GLN 28 HA GLN 28 7.600 -14.897 2.211
220 HB2 GLN 28 2HB GLN 28 6.481 -14.223 4.225
221 HB3 GLN 28 1HB GLN 28 4.913 -14.255 3.436
222 HG2 GLN 28 2HG GLN 28 4.982 -16.651 3.276
223 HG3 GLN 28 1HG GLN 28 6.634 -16.679 3.890
224 HE21 GLN 28 1HE2 GLN 28 3.291 -16.049 4.710
225 HE22 GLN 28 2HE2 GLN 28 3.482 -16.232 6.423
226 H ALA 29 H ALA 29 4.686 -13.964 0.558
227 HA ALA 29 HA ALA 29 3.939 -16.606 -0.239
228 HB1 ALA 29 3HB ALA 29 2.283 -15.513 -1.642
229 HB2 ALA 29 1HB ALA 29 3.056 -13.952 -1.359
230 HB3 ALA 29 2HB ALA 29 2.293 -14.811 -0.022
231 H HIS 30 H HIS 30 5.291 -13.829 -2.070
232 HA HIS 30 HA HIS 30 6.338 -15.817 -3.982
233 HB2 HIS 30 2HB HIS 30 4.814 -13.317 -4.484
234 HB3 HIS 30 1HB HIS 30 6.117 -13.708 -5.604
235 HD1 HIS 30 HD1 HIS 30 5.193 -14.826 -7.593
236 HD2 HIS 30 HD2 HIS 30 3.189 -15.947 -4.126
237 HE1 HIS 30 HE1 HIS 30 3.473 -16.509 -8.320
238 HE2 HIS 30 HE2 HIS 30 2.138 -17.002 -6.242
239 H GLY 31 H GLY 31 6.887 -12.781 -2.320
240 HA2 GLY 31 2HA GLY 31 9.011 -12.046 -1.628
241 HA3 GLY 31 1HA GLY 31 9.744 -13.117 -2.807
242 H LEU 32 H LEU 32 7.151 -11.040 -3.795
243 HA LEU 32 HA LEU 32 9.116 -9.341 -5.179
244 HB2 LEU 32 2HB LEU 32 7.778 -10.863 -6.660
245 HB3 LEU 32 1HB LEU 32 6.336 -10.004 -6.148
246 HG LEU 32 HG LEU 32 7.518 -7.889 -7.030
247 HD11 LEU 32 1HD1 LEU 32 9.139 -10.020 -8.410
248 HD12 LEU 32 2HD1 LEU 32 9.740 -8.832 -7.254
249 HD13 LEU 32 3HD1 LEU 32 9.132 -8.306 -8.826
250 HD21 LEU 32 3HD2 LEU 32 6.608 -10.052 -8.923
251 HD22 LEU 32 1HD2 LEU 32 6.746 -8.339 -9.317
252 HD23 LEU 32 2HD2 LEU 32 5.580 -8.873 -8.108
253 H THR 33 H THR 33 5.658 -9.275 -4.316
254 HA THR 33 HA THR 33 4.365 -7.714 -3.290
255 HB THR 33 HB THR 33 6.880 -6.262 -2.457
256 HG1 THR 33 HG1 THR 33 6.047 -7.818 -0.499
257 HG21 THR 33 3HG2 THR 33 4.114 -6.478 -1.266
258 HG22 THR 33 1HG2 THR 33 4.852 -5.048 -1.991
259 HG23 THR 33 2HG2 THR 33 5.485 -5.697 -0.479
260 HA PRO 34 HA PRO 34 4.880 -5.155 -7.132
261 HB2 PRO 34 2HB PRO 34 2.150 -5.031 -7.539
262 HB3 PRO 34 1HB PRO 34 3.224 -6.251 -8.229
263 HG2 PRO 34 2HG PRO 34 1.466 -6.416 -5.821
264 HG3 PRO 34 1HG PRO 34 1.788 -7.642 -7.062
265 HD2 PRO 34 2HD PRO 34 2.950 -7.741 -4.646
266 HD3 PRO 34 1HD PRO 34 3.811 -8.247 -6.112
267 H GLU 35 H GLU 35 2.879 -4.687 -4.259
268 HA GLU 35 HA GLU 35 2.052 -2.050 -4.821
269 HB2 GLU 35 2HB GLU 35 2.228 -2.041 -2.088
270 HB3 GLU 35 1HB GLU 35 0.843 -2.584 -3.018
271 HG2 GLU 35 2HG GLU 35 3.025 -4.491 -2.319
272 HG3 GLU 35 1HG GLU 35 1.791 -4.069 -1.132
273 H GLN 36 H GLN 36 5.116 -3.284 -3.829
274 HA GLN 36 HA GLN 36 6.120 -0.878 -2.664
275 HB2 GLN 36 2HB GLN 36 7.445 -3.347 -3.758
276 HB3 GLN 36 1HB GLN 36 8.382 -1.974 -3.186
277 HG2 GLN 36 2HG GLN 36 7.155 -2.191 -1.002
278 HG3 GLN 36 1HG GLN 36 6.517 -3.719 -1.613
279 HE21 GLN 36 1HE2 GLN 36 9.298 -2.045 -0.425
280 HE22 GLN 36 2HE2 GLN 36 10.318 -3.433 -0.262
281 H VAL 37 H VAL 37 5.225 -1.545 -5.766
282 HA VAL 37 HA VAL 37 7.143 0.401 -6.868
283 HB VAL 37 HB VAL 37 5.643 -1.724 -8.410
284 HG11 VAL 37 1HG1 VAL 37 7.889 0.106 -9.241
285 HG12 VAL 37 2HG1 VAL 37 6.195 0.271 -9.712
286 HG13 VAL 37 3HG1 VAL 37 7.128 -1.128 -10.246
287 HG21 VAL 37 3HG2 VAL 37 7.274 -2.766 -6.936
288 HG22 VAL 37 1HG2 VAL 37 8.528 -1.676 -7.528
289 HG23 VAL 37 2HG2 VAL 37 7.810 -2.866 -8.614
290 H VAL 38 H VAL 38 3.920 -0.893 -7.647
291 HA VAL 38 HA VAL 38 3.081 1.429 -8.984
292 HB VAL 38 HB VAL 38 2.054 -0.674 -9.485
293 HG11 VAL 38 1HG1 VAL 38 2.164 -1.739 -7.301
294 HG12 VAL 38 2HG1 VAL 38 0.528 -1.817 -7.955
295 HG13 VAL 38 3HG1 VAL 38 0.917 -0.649 -6.692
296 HG21 VAL 38 3HG2 VAL 38 -0.272 -0.051 -9.526
297 HG22 VAL 38 1HG2 VAL 38 0.723 1.372 -9.815
298 HG23 VAL 38 2HG2 VAL 38 -0.017 1.122 -8.236
299 H ALA 39 H ALA 39 2.173 0.309 -5.695
300 HA ALA 39 HA ALA 39 0.496 2.494 -5.134
301 HB1 ALA 39 3HB ALA 39 0.426 0.412 -3.854
302 HB2 ALA 39 1HB ALA 39 0.637 1.813 -2.804
303 HB3 ALA 39 2HB ALA 39 2.012 0.776 -3.175
304 H ILE 40 H ILE 40 3.926 1.975 -4.482
305 HA ILE 40 HA ILE 40 4.375 4.313 -2.996
306 HB ILE 40 HB ILE 40 6.313 2.801 -4.754
307 HG12 ILE 40 2HG1 ILE 40 5.311 1.398 -3.003
308 HG13 ILE 40 1HG1 ILE 40 7.013 1.698 -2.674
309 HG21 ILE 40 1HG2 ILE 40 6.882 4.738 -2.510
310 HG22 ILE 40 2HG2 ILE 40 7.071 5.080 -4.231
311 HG23 ILE 40 3HG2 ILE 40 8.075 3.851 -3.460
312 HD11 ILE 40 3HD1 ILE 40 4.630 2.924 -1.320
313 HD12 ILE 40 1HD1 ILE 40 6.278 3.524 -1.112
314 HD13 ILE 40 2HD1 ILE 40 5.867 1.879 -0.623
315 H ALA 41 H ALA 41 4.815 3.646 -6.475
316 HA ALA 41 HA ALA 41 5.733 6.197 -7.187
317 HB1 ALA 41 3HB ALA 41 4.195 4.254 -8.898
318 HB2 ALA 41 1HB ALA 41 5.936 4.226 -8.625
319 HB3 ALA 41 2HB ALA 41 5.198 5.586 -9.470
320 H SER 42 H SER 42 2.424 4.885 -7.183
321 HA SER 42 HA SER 42 1.176 7.131 -8.297
322 HB2 SER 42 2HB SER 42 0.089 5.055 -6.386
323 HB3 SER 42 1HB SER 42 -0.899 6.225 -7.254
324 HG SER 42 HG SER 42 0.402 5.228 -9.154
325 H HIS 43 H HIS 43 2.143 6.460 -4.978
326 HA HIS 43 HA HIS 43 0.713 8.788 -4.005
327 HB2 HIS 43 2HB HIS 43 0.833 6.739 -2.632
328 HB3 HIS 43 1HB HIS 43 2.579 6.931 -2.525
329 HD1 HIS 43 HD1 HIS 43 -0.636 8.477 -1.297
330 HD2 HIS 43 HD2 HIS 43 3.467 8.771 -0.658
331 HE1 HIS 43 HE1 HIS 43 -0.366 9.913 0.753
332 HE2 HIS 43 HE2 HIS 43 2.124 10.140 1.075
333 H ASP 44 H ASP 44 4.082 7.823 -4.536
334 HA ASP 44 HA ASP 44 5.140 10.243 -3.416
335 HB2 ASP 44 2HB ASP 44 6.311 7.978 -3.552
336 HB3 ASP 44 1HB ASP 44 6.615 8.361 -5.242
337 H GLY 45 H GLY 45 4.526 9.074 -6.717
338 HA2 GLY 45 2HA GLY 45 5.565 11.598 -7.785
339 HA3 GLY 45 1HA GLY 45 5.122 10.180 -8.723
340 H GLY 46 H GLY 46 2.598 10.375 -6.763
341 HA2 GLY 46 2HA GLY 46 1.204 12.287 -8.532
342 HA3 GLY 46 1HA GLY 46 0.484 10.775 -8.011
343 H LYS 47 H LYS 47 0.238 10.532 -5.608
344 HA LYS 47 HA LYS 47 -1.204 12.821 -4.657
345 HB2 LYS 47 2HB LYS 47 -0.921 10.003 -3.890
346 HB3 LYS 47 1HB LYS 47 -1.220 11.103 -2.552
347 HG2 LYS 47 2HG LYS 47 -3.309 10.273 -3.319
348 HG3 LYS 47 1HG LYS 47 -3.192 11.970 -3.787
349 HD2 LYS 47 2HD LYS 47 -2.402 11.189 -6.038
350 HD3 LYS 47 1HD LYS 47 -2.810 9.549 -5.531
351 HE2 LYS 47 2HE LYS 47 -4.700 11.886 -5.751
352 HE3 LYS 47 1HE LYS 47 -4.628 10.489 -6.823
353 HZ1 LYS 47 3HZ LYS 47 -6.388 10.098 -5.340
354 HZ2 LYS 47 1HZ LYS 47 -5.479 10.557 -3.987
355 HZ3 LYS 47 2HZ LYS 47 -5.124 9.116 -4.800
356 H GLN 48 H GLN 48 1.721 13.202 -4.820
357 HA GLN 48 HA GLN 48 2.486 13.394 -2.017
358 HB2 GLN 48 2HB GLN 48 4.001 12.826 -4.164
359 HB3 GLN 48 1HB GLN 48 4.224 14.573 -4.106
360 HG2 GLN 48 2HG GLN 48 4.783 14.253 -1.649
361 HG3 GLN 48 1HG GLN 48 4.909 12.534 -2.020
362 HE21 GLN 48 1HE2 GLN 48 7.071 12.393 -1.614
363 HE22 GLN 48 2HE2 GLN 48 8.270 13.127 -2.616
364 H ALA 49 H ALA 49 1.646 15.447 -4.737
365 HA ALA 49 HA ALA 49 1.971 17.850 -3.119
366 HB1 ALA 49 3HB ALA 49 2.749 17.884 -5.448
367 HB2 ALA 49 1HB ALA 49 1.473 19.071 -5.168
368 HB3 ALA 49 2HB ALA 49 1.104 17.559 -5.996
369 H LEU 50 H LEU 50 -0.413 15.618 -4.052
370 HA LEU 50 HA LEU 50 -2.673 17.367 -3.810
371 HB2 LEU 50 2HB LEU 50 -2.173 14.626 -4.587
372 HB3 LEU 50 1HB LEU 50 -3.563 14.737 -3.527
373 HG LEU 50 HG LEU 50 -4.216 14.818 -5.878
374 HD11 LEU 50 1HD1 LEU 50 -5.623 16.780 -5.782
375 HD12 LEU 50 2HD1 LEU 50 -4.611 17.479 -4.522
376 HD13 LEU 50 3HD1 LEU 50 -5.543 16.020 -4.194
377 HD21 LEU 50 3HD2 LEU 50 -3.614 16.697 -7.296
378 HD22 LEU 50 1HD2 LEU 50 -2.172 15.831 -6.771
379 HD23 LEU 50 2HD2 LEU 50 -2.605 17.363 -6.011
380 H GLU 51 H GLU 51 -1.172 14.861 -1.794
381 HA GLU 51 HA GLU 51 -3.023 15.509 0.363
382 HB2 GLU 51 2HB GLU 51 -1.029 13.277 0.008
383 HB3 GLU 51 1HB GLU 51 -1.877 13.563 1.521
384 HG2 GLU 51 2HG GLU 51 -4.013 13.429 0.078
385 HG3 GLU 51 1HG GLU 51 -2.965 12.653 -1.108
Start of MODEL 16
1 H1 GLU 1 1HT GLU 1 -14.098 -3.274 1.884
2 H2 GLU 1 2HT GLU 1 -15.132 -2.089 2.505
3 H3 GLU 1 3HT GLU 1 -15.187 -3.665 3.118
4 HA GLU 1 HA GLU 1 -12.921 -1.776 3.353
5 HB2 GLU 1 2HB GLU 1 -14.545 -2.918 5.614
6 HB3 GLU 1 1HB GLU 1 -13.466 -1.531 5.634
7 HG2 GLU 1 2HG GLU 1 -16.203 -1.719 4.411
8 HG3 GLU 1 1HG GLU 1 -15.691 -0.718 5.767
9 H GLN 2 H GLN 2 -11.411 -3.277 2.581
10 HA GLN 2 HA GLN 2 -11.238 -5.885 3.811
11 HB2 GLN 2 2HB GLN 2 -9.200 -6.135 2.389
12 HB3 GLN 2 1HB GLN 2 -10.663 -5.772 1.489
13 HG2 GLN 2 2HG GLN 2 -9.956 -3.403 1.385
14 HG3 GLN 2 1HG GLN 2 -8.448 -3.853 2.179
15 HE21 GLN 2 1HE2 GLN 2 -8.904 -2.695 -0.470
16 HE22 GLN 2 2HE2 GLN 2 -8.182 -3.790 -1.595
17 H VAL 3 H VAL 3 -8.901 -6.558 4.487
18 HA VAL 3 HA VAL 3 -8.346 -5.268 6.905
19 HB VAL 3 HB VAL 3 -6.277 -6.635 6.983
20 HG11 VAL 3 1HG1 VAL 3 -7.403 -8.789 7.036
21 HG12 VAL 3 2HG1 VAL 3 -8.731 -8.135 6.077
22 HG13 VAL 3 3HG1 VAL 3 -8.442 -7.531 7.708
23 HG21 VAL 3 3HG2 VAL 3 -7.107 -7.427 4.192
24 HG22 VAL 3 1HG2 VAL 3 -5.915 -8.290 5.162
25 HG23 VAL 3 2HG2 VAL 3 -5.614 -6.624 4.672
26 H VAL 4 H VAL 4 -6.863 -4.866 3.733
27 HA VAL 4 HA VAL 4 -4.871 -3.043 4.805
28 HB VAL 4 HB VAL 4 -4.010 -2.876 2.523
29 HG11 VAL 4 1HG1 VAL 4 -3.423 -4.779 4.060
30 HG12 VAL 4 2HG1 VAL 4 -3.157 -5.070 2.344
31 HG13 VAL 4 3HG1 VAL 4 -4.564 -5.762 3.144
32 HG21 VAL 4 3HG2 VAL 4 -6.270 -4.726 1.767
33 HG22 VAL 4 1HG2 VAL 4 -4.966 -4.187 0.706
34 HG23 VAL 4 2HG2 VAL 4 -6.141 -3.023 1.322
35 H ALA 5 H ALA 5 -7.839 -2.508 4.724
36 HA ALA 5 HA ALA 5 -7.665 0.117 3.398
37 HB1 ALA 5 3HB ALA 5 -10.044 -0.001 2.916
38 HB2 ALA 5 1HB ALA 5 -10.134 -1.589 3.677
39 HB3 ALA 5 2HB ALA 5 -9.203 -1.375 2.196
40 H ILE 6 H ILE 6 -9.400 -1.712 5.920
41 HA ILE 6 HA ILE 6 -10.405 0.487 7.321
42 HB ILE 6 HB ILE 6 -10.548 -1.061 9.292
43 HG12 ILE 6 2HG1 ILE 6 -9.510 -3.157 7.380
44 HG13 ILE 6 1HG1 ILE 6 -8.503 -2.402 8.611
45 HG21 ILE 6 1HG2 ILE 6 -12.226 -2.513 8.262
46 HG22 ILE 6 2HG2 ILE 6 -11.618 -2.074 6.664
47 HG23 ILE 6 3HG2 ILE 6 -12.358 -0.849 7.694
48 HD11 ILE 6 3HD1 ILE 6 -9.303 -4.533 9.384
49 HD12 ILE 6 1HD1 ILE 6 -10.971 -4.051 9.078
50 HD13 ILE 6 2HD1 ILE 6 -10.037 -3.241 10.335
51 H ALA 7 H ALA 7 -7.256 -1.069 7.511
52 HA ALA 7 HA ALA 7 -6.525 0.518 9.832
53 HB1 ALA 7 3HB ALA 7 -4.427 -0.714 9.784
54 HB2 ALA 7 1HB ALA 7 -4.876 -1.445 8.243
55 HB3 ALA 7 2HB ALA 7 -5.800 -1.816 9.698
56 H SER 8 H SER 8 -5.981 0.478 6.387
57 HA SER 8 HA SER 8 -3.809 2.337 6.461
58 HB2 SER 8 2HB SER 8 -5.469 1.715 4.032
59 HB3 SER 8 1HB SER 8 -3.755 2.123 4.122
60 HG SER 8 HG SER 8 -4.650 -0.234 3.914
61 H ASN 9 H ASN 9 -7.253 2.560 5.529
62 HA ASN 9 HA ASN 9 -7.108 5.326 4.885
63 HB2 ASN 9 2HB ASN 9 -8.874 3.786 4.043
64 HB3 ASN 9 1HB ASN 9 -9.550 3.723 5.666
65 HD21 ASN 9 1HD2 ASN 9 -9.013 5.702 2.856
66 HD22 ASN 9 2HD2 ASN 9 -10.178 6.920 3.252
67 H ILE 10 H ILE 10 -8.217 3.569 7.764
68 HA ILE 10 HA ILE 10 -8.903 5.915 9.218
69 HB ILE 10 HB ILE 10 -8.633 3.020 9.885
70 HG12 ILE 10 2HG1 ILE 10 -10.930 3.475 10.834
71 HG13 ILE 10 1HG1 ILE 10 -10.776 5.123 10.238
72 HG21 ILE 10 1HG2 ILE 10 -9.079 3.468 12.278
73 HG22 ILE 10 2HG2 ILE 10 -8.762 5.179 11.989
74 HG23 ILE 10 3HG2 ILE 10 -7.475 3.993 11.763
75 HD11 ILE 10 3HD1 ILE 10 -10.545 4.240 7.951
76 HD12 ILE 10 1HD1 ILE 10 -12.078 3.808 8.707
77 HD13 ILE 10 2HD1 ILE 10 -10.791 2.612 8.584
78 H GLY 11 H GLY 11 -5.958 4.120 8.751
79 HA2 GLY 11 2HA GLY 11 -4.544 5.360 10.932
80 HA3 GLY 11 1HA GLY 11 -3.851 4.347 9.673
81 H GLY 12 H GLY 12 -5.633 6.586 8.088
82 HA2 GLY 12 2HA GLY 12 -5.232 8.689 7.196
83 HA3 GLY 12 1HA GLY 12 -3.824 8.832 8.235
84 H LYS 13 H LYS 13 -2.271 6.764 7.529
85 HA LYS 13 HA LYS 13 -1.326 7.592 4.926
86 HB2 LYS 13 2HB LYS 13 -0.092 5.344 6.451
87 HB3 LYS 13 1HB LYS 13 0.677 6.588 5.482
88 HG2 LYS 13 2HG LYS 13 0.701 8.108 7.194
89 HG3 LYS 13 1HG LYS 13 -0.696 7.390 7.996
90 HD2 LYS 13 2HD LYS 13 2.012 6.076 7.827
91 HD3 LYS 13 1HD LYS 13 1.474 7.053 9.194
92 HE2 LYS 13 2HE LYS 13 -0.314 5.517 9.659
93 HE3 LYS 13 1HE LYS 13 0.025 4.610 8.188
94 HZ1 LYS 13 3HZ LYS 13 1.259 3.315 9.490
95 HZ2 LYS 13 1HZ LYS 13 1.265 4.437 10.762
96 HZ3 LYS 13 2HZ LYS 13 2.391 4.579 9.512
97 H GLN 14 H GLN 14 -3.387 6.702 3.963
98 HA GLN 14 HA GLN 14 -3.944 3.975 3.816
99 HB2 GLN 14 2HB GLN 14 -5.528 5.702 3.130
100 HB3 GLN 14 1HB GLN 14 -4.491 6.132 1.779
101 HG2 GLN 14 2HG GLN 14 -4.893 4.055 0.701
102 HG3 GLN 14 1HG GLN 14 -5.708 3.408 2.122
103 HE21 GLN 14 1HE2 GLN 14 -6.621 3.728 -0.648
104 HE22 GLN 14 2HE2 GLN 14 -8.074 4.661 -0.555
105 H ALA 15 H ALA 15 -1.973 5.991 1.669
106 HA ALA 15 HA ALA 15 -1.333 3.794 -0.068
107 HB1 ALA 15 3HB ALA 15 -0.004 5.379 -1.295
108 HB2 ALA 15 1HB ALA 15 -0.081 6.532 0.036
109 HB3 ALA 15 2HB ALA 15 -1.544 6.128 -0.867
110 H LEU 16 H LEU 16 -0.410 4.068 2.943
111 HA LEU 16 HA LEU 16 2.344 3.204 2.369
112 HB2 LEU 16 2HB LEU 16 1.327 4.910 4.624
113 HB3 LEU 16 1HB LEU 16 2.840 4.033 4.748
114 HG LEU 16 HG LEU 16 2.227 6.101 2.633
115 HD11 LEU 16 1HD1 LEU 16 3.756 6.281 5.216
116 HD12 LEU 16 2HD1 LEU 16 2.366 7.238 4.710
117 HD13 LEU 16 3HD1 LEU 16 3.920 7.449 3.905
118 HD21 LEU 16 3HD2 LEU 16 4.691 5.989 2.279
119 HD22 LEU 16 1HD2 LEU 16 3.829 4.520 1.822
120 HD23 LEU 16 2HD2 LEU 16 4.730 4.579 3.337
121 H GLU 17 H GLU 17 -0.405 2.921 4.591
122 HA GLU 17 HA GLU 17 0.617 0.663 5.958
123 HB2 GLU 17 2HB GLU 17 -2.097 1.899 5.694
124 HB3 GLU 17 1HB GLU 17 -1.907 0.349 6.504
125 HG2 GLU 17 2HG GLU 17 -0.647 2.968 7.273
126 HG3 GLU 17 1HG GLU 17 -1.905 2.091 8.142
127 H THR 18 H THR 18 -1.252 1.056 3.024
128 HA THR 18 HA THR 18 -2.124 -1.606 2.792
129 HB THR 18 HB THR 18 -3.024 0.337 1.474
130 HG1 THR 18 HG1 THR 18 -2.223 -1.992 0.024
131 HG21 THR 18 3HG2 THR 18 -0.575 -0.149 -0.233
132 HG22 THR 18 1HG2 THR 18 -0.913 1.305 0.712
133 HG23 THR 18 2HG2 THR 18 -1.941 0.885 -0.657
134 H VAL 19 H VAL 19 0.906 -0.053 1.810
135 HA VAL 19 HA VAL 19 1.783 -2.416 0.409
136 HB VAL 19 HB VAL 19 2.551 -0.278 -0.441
137 HG11 VAL 19 1HG1 VAL 19 4.094 1.153 0.775
138 HG12 VAL 19 2HG1 VAL 19 3.984 0.095 2.182
139 HG13 VAL 19 3HG1 VAL 19 2.568 0.996 1.645
140 HG21 VAL 19 3HG2 VAL 19 4.745 -1.970 0.735
141 HG22 VAL 19 1HG2 VAL 19 5.016 -0.696 -0.452
142 HG23 VAL 19 2HG2 VAL 19 4.032 -2.093 -0.871
143 H GLN 20 H GLN 20 2.280 -0.942 3.559
144 HA GLN 20 HA GLN 20 4.391 -2.647 4.388
145 HB2 GLN 20 2HB GLN 20 3.961 -0.524 5.506
146 HB3 GLN 20 1HB GLN 20 2.368 -1.079 6.005
147 HG2 GLN 20 2HG GLN 20 3.803 -1.236 7.886
148 HG3 GLN 20 1HG GLN 20 3.487 -2.875 7.321
149 HE21 GLN 20 1HE2 GLN 20 5.848 -0.388 7.719
150 HE22 GLN 20 2HE2 GLN 20 7.234 -1.349 7.337
151 H ARG 21 H ARG 21 0.895 -2.827 4.572
152 HA ARG 21 HA ARG 21 0.807 -5.125 6.261
153 HB2 ARG 21 2HB ARG 21 -1.001 -3.281 5.680
154 HB3 ARG 21 1HB ARG 21 -1.439 -4.430 4.426
155 HG2 ARG 21 2HG ARG 21 -2.822 -4.783 6.350
156 HG3 ARG 21 1HG ARG 21 -1.740 -6.161 6.152
157 HD2 ARG 21 2HD ARG 21 -1.941 -5.455 8.495
158 HD3 ARG 21 1HD ARG 21 -0.292 -5.319 7.895
159 HE ARG 21 HE ARG 21 -0.857 -2.866 7.586
160 HH11 ARG 21 1HH1 ARG 21 -2.351 -4.861 10.038
161 HH12 ARG 21 2HH1 ARG 21 -2.657 -3.539 11.116
162 HH21 ARG 21 1HH2 ARG 21 -1.212 -1.103 9.031
163 HH22 ARG 21 2HH2 ARG 21 -2.018 -1.409 10.545
164 H LEU 22 H LEU 22 0.780 -4.621 2.769
165 HA LEU 22 HA LEU 22 0.319 -7.451 2.289
166 HB2 LEU 22 2HB LEU 22 0.565 -5.040 0.524
167 HB3 LEU 22 1HB LEU 22 0.654 -6.655 -0.154
168 HG LEU 22 HG LEU 22 -1.666 -5.771 1.534
169 HD11 LEU 22 1HD1 LEU 22 -1.352 -5.523 -1.452
170 HD12 LEU 22 2HD1 LEU 22 -1.540 -4.203 -0.297
171 HD13 LEU 22 3HD1 LEU 22 -2.870 -5.330 -0.574
172 HD21 LEU 22 3HD2 LEU 22 -1.413 -8.166 1.235
173 HD22 LEU 22 1HD2 LEU 22 -1.316 -7.956 -0.513
174 HD23 LEU 22 2HD2 LEU 22 -2.815 -7.583 0.338
175 H LEU 23 H LEU 23 2.961 -5.552 2.959
176 HA LEU 23 HA LEU 23 4.895 -6.458 1.174
177 HB2 LEU 23 2HB LEU 23 5.141 -4.567 2.786
178 HB3 LEU 23 1HB LEU 23 5.366 -5.744 4.062
179 HG LEU 23 HG LEU 23 7.218 -6.464 2.099
180 HD11 LEU 23 1HD1 LEU 23 8.488 -4.399 1.754
181 HD12 LEU 23 2HD1 LEU 23 7.194 -3.481 2.523
182 HD13 LEU 23 3HD1 LEU 23 6.895 -4.322 1.003
183 HD21 LEU 23 3HD2 LEU 23 7.546 -4.912 4.662
184 HD22 LEU 23 1HD2 LEU 23 8.852 -5.706 3.779
185 HD23 LEU 23 2HD2 LEU 23 7.551 -6.667 4.480
186 HA PRO 24 HA PRO 24 6.124 -9.990 4.284
187 HB2 PRO 24 2HB PRO 24 4.139 -10.757 6.027
188 HB3 PRO 24 1HB PRO 24 5.474 -9.681 6.452
189 HG2 PRO 24 2HG PRO 24 2.667 -8.995 5.673
190 HG3 PRO 24 1HG PRO 24 3.677 -8.296 6.953
191 HD2 PRO 24 2HD PRO 24 3.322 -7.032 4.622
192 HD3 PRO 24 1HD PRO 24 4.887 -6.996 5.463
193 H VAL 25 H VAL 25 2.732 -9.616 3.417
194 HA VAL 25 HA VAL 25 2.121 -12.313 2.953
195 HB VAL 25 HB VAL 25 0.924 -9.949 1.502
196 HG11 VAL 25 1HG1 VAL 25 -1.066 -11.354 1.348
197 HG12 VAL 25 2HG1 VAL 25 -0.216 -12.660 2.172
198 HG13 VAL 25 3HG1 VAL 25 0.321 -12.126 0.581
199 HG21 VAL 25 3HG2 VAL 25 0.181 -11.100 4.192
200 HG22 VAL 25 1HG2 VAL 25 -0.760 -9.903 3.303
201 HG23 VAL 25 2HG2 VAL 25 0.856 -9.502 3.881
202 H LEU 26 H LEU 26 3.008 -9.744 0.641
203 HA LEU 26 HA LEU 26 3.165 -11.491 -1.582
204 HB2 LEU 26 2HB LEU 26 3.869 -8.680 -1.011
205 HB3 LEU 26 1HB LEU 26 4.716 -9.431 -2.348
206 HG LEU 26 HG LEU 26 2.751 -8.204 -3.118
207 HD11 LEU 26 1HD1 LEU 26 2.277 -11.165 -3.384
208 HD12 LEU 26 2HD1 LEU 26 3.506 -10.274 -4.279
209 HD13 LEU 26 3HD1 LEU 26 1.800 -9.894 -4.507
210 HD21 LEU 26 3HD2 LEU 26 0.514 -8.850 -2.523
211 HD22 LEU 26 1HD2 LEU 26 1.410 -8.471 -1.054
212 HD23 LEU 26 2HD2 LEU 26 1.117 -10.152 -1.500
213 H CYS 27 H CYS 27 5.514 -10.417 0.795
214 HA CYS 27 HA CYS 27 7.829 -11.288 -0.544
215 HB2 CYS 27 2HB CYS 27 7.224 -10.858 2.375
216 HB3 CYS 27 1HB CYS 27 8.809 -11.374 1.808
217 HG CYS 27 HG CYS 27 7.260 -8.466 0.890
218 H GLN 28 H GLN 28 5.640 -12.948 1.694
219 HA GLN 28 HA GLN 28 7.234 -15.348 1.637
220 HB2 GLN 28 2HB GLN 28 5.682 -14.453 3.535
221 HB3 GLN 28 1HB GLN 28 4.410 -15.262 2.631
222 HG2 GLN 28 2HG GLN 28 5.433 -17.373 2.901
223 HG3 GLN 28 1HG GLN 28 6.922 -16.652 3.508
224 HE21 GLN 28 1HE2 GLN 28 3.656 -17.531 4.236
225 HE22 GLN 28 2HE2 GLN 28 3.763 -17.327 5.950
226 H ALA 29 H ALA 29 4.265 -14.184 0.143
227 HA ALA 29 HA ALA 29 3.363 -16.574 -0.982
228 HB1 ALA 29 3HB ALA 29 2.077 -15.202 -2.522
229 HB2 ALA 29 1HB ALA 29 3.062 -13.799 -2.118
230 HB3 ALA 29 2HB ALA 29 2.019 -14.525 -0.895
231 H HIS 30 H HIS 30 5.465 -14.084 -2.462
232 HA HIS 30 HA HIS 30 6.599 -16.191 -4.131
233 HB2 HIS 30 2HB HIS 30 4.709 -14.338 -5.131
234 HB3 HIS 30 1HB HIS 30 6.275 -13.897 -5.806
235 HD1 HIS 30 HD1 HIS 30 7.461 -15.695 -7.319
236 HD2 HIS 30 HD2 HIS 30 3.602 -16.679 -6.112
237 HE1 HIS 30 HE1 HIS 30 6.755 -17.608 -8.792
238 HE2 HIS 30 HE2 HIS 30 4.408 -18.170 -8.065
239 H GLY 31 H GLY 31 6.914 -13.174 -2.501
240 HA2 GLY 31 2HA GLY 31 8.922 -12.227 -1.785
241 HA3 GLY 31 1HA GLY 31 9.789 -13.329 -2.841
242 H LEU 32 H LEU 32 7.188 -11.491 -4.148
243 HA LEU 32 HA LEU 32 9.108 -9.982 -5.759
244 HB2 LEU 32 2HB LEU 32 6.143 -10.403 -6.135
245 HB3 LEU 32 1HB LEU 32 7.199 -9.552 -7.247
246 HG LEU 32 HG LEU 32 7.586 -12.454 -6.539
247 HD11 LEU 32 1HD1 LEU 32 5.369 -12.154 -7.537
248 HD12 LEU 32 2HD1 LEU 32 6.463 -13.013 -8.619
249 HD13 LEU 32 3HD1 LEU 32 6.100 -11.312 -8.902
250 HD21 LEU 32 3HD2 LEU 32 8.886 -12.472 -8.619
251 HD22 LEU 32 1HD2 LEU 32 9.537 -11.331 -7.445
252 HD23 LEU 32 2HD2 LEU 32 8.590 -10.743 -8.809
253 H THR 33 H THR 33 5.966 -9.429 -4.207
254 HA THR 33 HA THR 33 5.006 -7.627 -3.237
255 HB THR 33 HB THR 33 7.752 -6.556 -2.631
256 HG1 THR 33 HG1 THR 33 8.153 -8.270 -1.461
257 HG21 THR 33 3HG2 THR 33 6.667 -5.901 -0.521
258 HG22 THR 33 1HG2 THR 33 5.152 -6.605 -1.089
259 HG23 THR 33 2HG2 THR 33 5.842 -5.210 -1.918
260 HA PRO 34 HA PRO 34 5.982 -4.906 -6.923
261 HB2 PRO 34 2HB PRO 34 3.560 -5.078 -8.124
262 HB3 PRO 34 1HB PRO 34 4.859 -6.236 -8.431
263 HG2 PRO 34 2HG PRO 34 2.471 -6.492 -6.651
264 HG3 PRO 34 1HG PRO 34 3.193 -7.692 -7.738
265 HD2 PRO 34 2HD PRO 34 3.611 -7.672 -5.048
266 HD3 PRO 34 1HD PRO 34 4.800 -8.289 -6.210
267 H GLU 35 H GLU 35 3.784 -5.104 -4.375
268 HA GLU 35 HA GLU 35 2.161 -2.867 -4.677
269 HB2 GLU 35 2HB GLU 35 3.214 -3.572 -1.970
270 HB3 GLU 35 1HB GLU 35 1.583 -3.133 -2.446
271 HG2 GLU 35 2HG GLU 35 2.939 -5.763 -3.002
272 HG3 GLU 35 1HG GLU 35 1.734 -5.463 -1.755
273 H GLN 36 H GLN 36 5.450 -3.160 -3.440
274 HA GLN 36 HA GLN 36 5.617 -0.447 -2.550
275 HB2 GLN 36 2HB GLN 36 7.947 -0.893 -2.139
276 HB3 GLN 36 1HB GLN 36 7.006 -2.279 -1.606
277 HG2 GLN 36 2HG GLN 36 7.584 -3.455 -3.682
278 HG3 GLN 36 1HG GLN 36 8.556 -2.073 -4.182
279 HE21 GLN 36 1HE2 GLN 36 9.528 -1.584 -1.466
280 HE22 GLN 36 2HE2 GLN 36 10.691 -2.824 -1.152
281 H VAL 37 H VAL 37 5.581 -1.774 -5.600
282 HA VAL 37 HA VAL 37 7.328 0.299 -6.719
283 HB VAL 37 HB VAL 37 6.028 -1.905 -8.306
284 HG11 VAL 37 1HG1 VAL 37 7.029 -0.070 -9.564
285 HG12 VAL 37 2HG1 VAL 37 7.939 -1.562 -9.794
286 HG13 VAL 37 3HG1 VAL 37 8.557 -0.309 -8.717
287 HG21 VAL 37 3HG2 VAL 37 7.238 -2.918 -6.415
288 HG22 VAL 37 1HG2 VAL 37 8.698 -2.065 -6.909
289 HG23 VAL 37 2HG2 VAL 37 7.989 -3.285 -7.966
290 H VAL 38 H VAL 38 3.999 -0.619 -6.418
291 HA VAL 38 HA VAL 38 3.254 1.397 -8.414
292 HB VAL 38 HB VAL 38 2.241 -0.734 -8.857
293 HG11 VAL 38 1HG1 VAL 38 2.330 -1.732 -6.659
294 HG12 VAL 38 2HG1 VAL 38 0.686 -1.807 -7.292
295 HG13 VAL 38 3HG1 VAL 38 1.105 -0.609 -6.070
296 HG21 VAL 38 3HG2 VAL 38 -0.117 -0.125 -8.892
297 HG22 VAL 38 1HG2 VAL 38 0.899 1.249 -9.328
298 HG23 VAL 38 2HG2 VAL 38 0.186 1.155 -7.715
299 H ALA 39 H ALA 39 2.523 0.439 -5.055
300 HA ALA 39 HA ALA 39 0.787 2.656 -4.582
301 HB1 ALA 39 3HB ALA 39 0.607 0.574 -3.302
302 HB2 ALA 39 1HB ALA 39 0.847 1.967 -2.246
303 HB3 ALA 39 2HB ALA 39 2.192 0.878 -2.589
304 H ILE 40 H ILE 40 4.161 1.966 -3.713
305 HA ILE 40 HA ILE 40 4.615 4.363 -2.311
306 HB ILE 40 HB ILE 40 6.555 2.566 -3.772
307 HG12 ILE 40 2HG1 ILE 40 5.325 1.570 -1.857
308 HG13 ILE 40 1HG1 ILE 40 7.061 1.666 -1.583
309 HG21 ILE 40 1HG2 ILE 40 8.338 3.664 -2.505
310 HG22 ILE 40 2HG2 ILE 40 7.165 4.803 -1.842
311 HG23 ILE 40 3HG2 ILE 40 7.510 4.798 -3.573
312 HD11 ILE 40 3HD1 ILE 40 6.010 2.284 0.430
313 HD12 ILE 40 1HD1 ILE 40 4.903 3.381 -0.398
314 HD13 ILE 40 2HD1 ILE 40 6.619 3.775 -0.290
315 H ALA 41 H ALA 41 4.894 3.511 -5.707
316 HA ALA 41 HA ALA 41 6.206 5.816 -6.618
317 HB1 ALA 41 3HB ALA 41 4.252 4.108 -8.149
318 HB2 ALA 41 1HB ALA 41 5.960 3.734 -7.919
319 HB3 ALA 41 2HB ALA 41 5.488 5.172 -8.823
320 H SER 42 H SER 42 2.718 5.063 -6.464
321 HA SER 42 HA SER 42 1.912 7.556 -7.549
322 HB2 SER 42 2HB SER 42 -0.332 6.850 -6.378
323 HB3 SER 42 1HB SER 42 0.266 5.938 -7.763
324 HG SER 42 HG SER 42 0.661 4.267 -6.523
325 H HIS 43 H HIS 43 2.374 6.374 -4.264
326 HA HIS 43 HA HIS 43 1.280 8.624 -2.945
327 HB2 HIS 43 2HB HIS 43 1.500 6.680 -1.638
328 HB3 HIS 43 1HB HIS 43 3.178 6.446 -2.105
329 HD1 HIS 43 HD1 HIS 43 1.120 8.939 -0.068
330 HD2 HIS 43 HD2 HIS 43 4.949 7.321 -0.258
331 HE1 HIS 43 HE1 HIS 43 2.347 9.862 1.923
332 HE2 HIS 43 HE2 HIS 43 4.706 9.007 1.682
333 H ASP 44 H ASP 44 4.598 7.795 -3.891
334 HA ASP 44 HA ASP 44 5.712 10.188 -2.783
335 HB2 ASP 44 2HB ASP 44 7.069 8.165 -3.029
336 HB3 ASP 44 1HB ASP 44 6.885 8.240 -4.780
337 H GLY 45 H GLY 45 4.852 9.123 -6.061
338 HA2 GLY 45 2HA GLY 45 5.086 11.946 -6.901
339 HA3 GLY 45 1HA GLY 45 5.536 10.607 -7.945
340 H GLY 46 H GLY 46 3.051 12.676 -6.976
341 HA2 GLY 46 2HA GLY 46 1.228 12.634 -8.736
342 HA3 GLY 46 1HA GLY 46 1.036 10.951 -8.266
343 H LYS 47 H LYS 47 0.658 10.623 -5.848
344 HA LYS 47 HA LYS 47 -1.725 11.938 -5.139
345 HB2 LYS 47 2HB LYS 47 -0.330 9.709 -4.241
346 HB3 LYS 47 1HB LYS 47 -0.315 10.793 -2.857
347 HG2 LYS 47 2HG LYS 47 -2.791 9.948 -4.348
348 HG3 LYS 47 1HG LYS 47 -2.214 9.217 -2.853
349 HD2 LYS 47 2HD LYS 47 -2.267 11.816 -2.123
350 HD3 LYS 47 1HD LYS 47 -3.576 11.795 -3.305
351 HE2 LYS 47 2HE LYS 47 -4.559 9.860 -2.094
352 HE3 LYS 47 1HE LYS 47 -3.313 10.049 -0.864
353 HZ1 LYS 47 3HZ LYS 47 -4.167 12.392 -0.598
354 HZ2 LYS 47 1HZ LYS 47 -5.197 11.155 -0.064
355 HZ3 LYS 47 2HZ LYS 47 -5.498 11.924 -1.538
356 H GLN 48 H GLN 48 1.621 12.587 -4.322
357 HA GLN 48 HA GLN 48 1.193 14.348 -2.176
358 HB2 GLN 48 2HB GLN 48 3.448 15.120 -2.531
359 HB3 GLN 48 1HB GLN 48 3.406 13.387 -2.806
360 HG2 GLN 48 2HG GLN 48 3.607 13.635 -5.122
361 HG3 GLN 48 1HG GLN 48 3.183 15.342 -5.061
362 HE21 GLN 48 1HE2 GLN 48 4.908 15.959 -2.832
363 HE22 GLN 48 2HE2 GLN 48 6.529 15.909 -3.431
364 H ALA 49 H ALA 49 0.831 14.757 -5.606
365 HA ALA 49 HA ALA 49 0.735 17.656 -5.443
366 HB1 ALA 49 3HB ALA 49 0.369 17.586 -7.842
367 HB2 ALA 49 1HB ALA 49 0.182 15.832 -7.779
368 HB3 ALA 49 2HB ALA 49 1.739 16.567 -7.399
369 H LEU 50 H LEU 50 -1.320 15.238 -4.665
370 HA LEU 50 HA LEU 50 -3.718 16.763 -5.431
371 HB2 LEU 50 2HB LEU 50 -3.183 13.863 -5.049
372 HB3 LEU 50 1HB LEU 50 -4.760 14.455 -4.570
373 HG LEU 50 HG LEU 50 -4.948 13.602 -6.783
374 HD11 LEU 50 1HD1 LEU 50 -5.855 15.443 -7.934
375 HD12 LEU 50 2HD1 LEU 50 -4.774 16.576 -7.130
376 HD13 LEU 50 3HD1 LEU 50 -6.060 15.790 -6.219
377 HD21 LEU 50 3HD2 LEU 50 -3.585 14.402 -8.647
378 HD22 LEU 50 1HD2 LEU 50 -2.590 13.643 -7.405
379 HD23 LEU 50 2HD2 LEU 50 -2.646 15.400 -7.537
380 H GLU 51 H GLU 51 -1.960 15.250 -2.835
381 HA GLU 51 HA GLU 51 -1.930 15.559 -0.599
382 HB2 GLU 51 2HB GLU 51 -2.286 17.997 -1.233
383 HB3 GLU 51 1HB GLU 51 -3.992 17.734 -0.908
384 HG2 GLU 51 2HG GLU 51 -3.021 18.716 1.019
385 HG3 GLU 51 1HG GLU 51 -3.383 17.031 1.393
Start of MODEL 17
1 H1 GLU 1 1HT GLU 1 -15.727 -3.921 2.443
2 H2 GLU 1 2HT GLU 1 -15.221 -5.189 3.442
3 H3 GLU 1 3HT GLU 1 -14.874 -5.225 1.788
4 HA GLU 1 HA GLU 1 -13.433 -3.335 1.983
5 HB2 GLU 1 2HB GLU 1 -12.874 -2.855 4.563
6 HB3 GLU 1 1HB GLU 1 -14.081 -1.945 3.667
7 HG2 GLU 1 2HG GLU 1 -14.914 -2.562 5.850
8 HG3 GLU 1 1HG GLU 1 -15.841 -3.369 4.586
9 H GLN 2 H GLN 2 -11.346 -3.430 3.748
10 HA GLN 2 HA GLN 2 -10.633 -6.200 4.215
11 HB2 GLN 2 2HB GLN 2 -8.373 -5.552 2.931
12 HB3 GLN 2 1HB GLN 2 -9.729 -6.321 2.119
13 HG2 GLN 2 2HG GLN 2 -10.520 -4.033 1.473
14 HG3 GLN 2 1HG GLN 2 -9.003 -3.403 2.108
15 HE21 GLN 2 1HE2 GLN 2 -10.480 -5.363 -0.362
16 HE22 GLN 2 2HE2 GLN 2 -9.139 -5.344 -1.457
17 H VAL 3 H VAL 3 -8.760 -6.418 5.549
18 HA VAL 3 HA VAL 3 -8.550 -4.510 7.574
19 HB VAL 3 HB VAL 3 -6.450 -5.780 8.246
20 HG11 VAL 3 1HG1 VAL 3 -7.728 -7.720 8.998
21 HG12 VAL 3 2HG1 VAL 3 -9.007 -7.326 7.851
22 HG13 VAL 3 3HG1 VAL 3 -8.653 -6.230 9.186
23 HG21 VAL 3 3HG2 VAL 3 -7.313 -7.602 6.000
24 HG22 VAL 3 1HG2 VAL 3 -6.019 -7.904 7.159
25 HG23 VAL 3 2HG2 VAL 3 -5.867 -6.590 5.989
26 H VAL 4 H VAL 4 -6.632 -4.953 4.671
27 HA VAL 4 HA VAL 4 -4.548 -3.165 5.458
28 HB VAL 4 HB VAL 4 -3.730 -3.344 3.188
29 HG11 VAL 4 1HG1 VAL 4 -4.810 -6.048 3.947
30 HG12 VAL 4 2HG1 VAL 4 -3.472 -5.271 4.790
31 HG13 VAL 4 3HG1 VAL 4 -3.318 -5.677 3.081
32 HG21 VAL 4 3HG2 VAL 4 -6.305 -4.767 2.538
33 HG22 VAL 4 1HG2 VAL 4 -4.951 -4.498 1.440
34 HG23 VAL 4 2HG2 VAL 4 -5.887 -3.129 2.037
35 H ALA 5 H ALA 5 -7.710 -2.622 4.530
36 HA ALA 5 HA ALA 5 -7.120 -0.006 3.336
37 HB1 ALA 5 3HB ALA 5 -9.523 0.002 2.709
38 HB2 ALA 5 1HB ALA 5 -9.660 -1.622 3.383
39 HB3 ALA 5 2HB ALA 5 -8.608 -1.326 1.998
40 H ILE 6 H ILE 6 -8.966 -1.538 5.961
41 HA ILE 6 HA ILE 6 -10.063 0.870 6.962
42 HB ILE 6 HB ILE 6 -10.390 -0.388 9.104
43 HG12 ILE 6 2HG1 ILE 6 -9.196 -2.706 7.571
44 HG13 ILE 6 1HG1 ILE 6 -8.356 -1.833 8.847
45 HG21 ILE 6 1HG2 ILE 6 -12.002 -1.996 8.161
46 HG22 ILE 6 2HG2 ILE 6 -11.295 -1.747 6.566
47 HG23 ILE 6 3HG2 ILE 6 -12.101 -0.413 7.390
48 HD11 ILE 6 3HD1 ILE 6 -10.069 -2.531 10.445
49 HD12 ILE 6 1HD1 ILE 6 -9.292 -3.912 9.673
50 HD13 ILE 6 2HD1 ILE 6 -10.902 -3.409 9.161
51 H ALA 7 H ALA 7 -7.001 -0.729 7.418
52 HA ALA 7 HA ALA 7 -6.149 0.734 9.686
53 HB1 ALA 7 3HB ALA 7 -3.911 -0.075 9.142
54 HB2 ALA 7 1HB ALA 7 -4.477 -0.607 7.560
55 HB3 ALA 7 2HB ALA 7 -5.097 -1.375 9.021
56 H SER 8 H SER 8 -5.874 1.265 6.213
57 HA SER 8 HA SER 8 -4.139 3.512 6.399
58 HB2 SER 8 2HB SER 8 -5.593 3.641 3.985
59 HB3 SER 8 1HB SER 8 -3.965 3.001 4.223
60 HG SER 8 HG SER 8 -4.730 1.013 4.175
61 H ASN 9 H ASN 9 -7.613 3.057 6.308
62 HA ASN 9 HA ASN 9 -8.402 5.701 5.817
63 HB2 ASN 9 2HB ASN 9 -9.877 3.640 5.829
64 HB3 ASN 9 1HB ASN 9 -9.869 3.737 7.587
65 HD21 ASN 9 1HD2 ASN 9 -11.991 4.190 7.880
66 HD22 ASN 9 2HD2 ASN 9 -12.752 5.644 7.335
67 H ILE 10 H ILE 10 -7.690 4.006 8.834
68 HA ILE 10 HA ILE 10 -8.200 6.348 10.449
69 HB ILE 10 HB ILE 10 -6.869 3.767 11.292
70 HG12 ILE 10 2HG1 ILE 10 -9.792 4.495 11.554
71 HG13 ILE 10 1HG1 ILE 10 -9.158 3.472 10.268
72 HG21 ILE 10 1HG2 ILE 10 -8.252 5.931 12.875
73 HG22 ILE 10 2HG2 ILE 10 -6.521 5.594 12.847
74 HG23 ILE 10 3HG2 ILE 10 -7.638 4.418 13.540
75 HD11 ILE 10 3HD1 ILE 10 -8.428 1.840 11.887
76 HD12 ILE 10 1HD1 ILE 10 -10.143 2.188 12.107
77 HD13 ILE 10 2HD1 ILE 10 -8.952 2.878 13.211
78 H GLY 11 H GLY 11 -5.430 4.638 9.121
79 HA2 GLY 11 2HA GLY 11 -3.396 5.942 10.577
80 HA3 GLY 11 1HA GLY 11 -3.198 5.155 9.018
81 H GLY 12 H GLY 12 -4.636 6.606 7.291
82 HA2 GLY 12 2HA GLY 12 -5.080 9.054 6.925
83 HA3 GLY 12 1HA GLY 12 -3.467 9.306 7.566
84 H LYS 13 H LYS 13 -2.777 6.678 6.019
85 HA LYS 13 HA LYS 13 -2.531 7.982 3.383
86 HB2 LYS 13 2HB LYS 13 -0.464 6.313 4.819
87 HB3 LYS 13 1HB LYS 13 -0.310 6.911 3.174
88 HG2 LYS 13 2HG LYS 13 0.500 8.842 3.898
89 HG3 LYS 13 1HG LYS 13 -0.910 9.089 4.931
90 HD2 LYS 13 2HD LYS 13 1.315 7.249 5.753
91 HD3 LYS 13 1HD LYS 13 1.420 8.989 6.034
92 HE2 LYS 13 2HE LYS 13 -0.235 8.973 7.603
93 HE3 LYS 13 1HE LYS 13 -1.069 7.606 6.872
94 HZ1 LYS 13 3HZ LYS 13 0.422 6.099 7.832
95 HZ2 LYS 13 1HZ LYS 13 0.055 7.198 9.067
96 HZ3 LYS 13 2HZ LYS 13 1.531 7.311 8.250
97 H GLN 14 H GLN 14 -3.739 6.915 2.004
98 HA GLN 14 HA GLN 14 -4.509 4.175 2.404
99 HB2 GLN 14 2HB GLN 14 -5.896 4.447 0.473
100 HB3 GLN 14 1HB GLN 14 -5.996 5.936 1.405
101 HG2 GLN 14 2HG GLN 14 -4.297 6.919 -0.125
102 HG3 GLN 14 1HG GLN 14 -4.410 5.462 -1.106
103 HE21 GLN 14 1HE2 GLN 14 -6.278 5.076 -2.297
104 HE22 GLN 14 2HE2 GLN 14 -7.444 6.318 -2.608
105 H ALA 15 H ALA 15 -1.750 5.526 1.202
106 HA ALA 15 HA ALA 15 -1.261 3.177 -0.510
107 HB1 ALA 15 3HB ALA 15 -0.140 5.948 -0.845
108 HB2 ALA 15 1HB ALA 15 -1.365 5.189 -1.856
109 HB3 ALA 15 2HB ALA 15 0.276 4.549 -1.830
110 H LEU 16 H LEU 16 -0.682 4.027 2.445
111 HA LEU 16 HA LEU 16 2.112 3.106 2.371
112 HB2 LEU 16 2HB LEU 16 0.980 5.444 3.755
113 HB3 LEU 16 1HB LEU 16 2.074 4.466 4.710
114 HG LEU 16 HG LEU 16 2.794 5.568 1.997
115 HD11 LEU 16 1HD1 LEU 16 3.377 6.709 4.722
116 HD12 LEU 16 2HD1 LEU 16 2.341 7.425 3.488
117 HD13 LEU 16 3HD1 LEU 16 4.076 7.273 3.205
118 HD21 LEU 16 3HD2 LEU 16 5.085 5.108 2.746
119 HD22 LEU 16 1HD2 LEU 16 4.105 3.643 2.689
120 HD23 LEU 16 2HD2 LEU 16 4.452 4.413 4.238
121 H GLU 17 H GLU 17 -0.752 3.397 4.497
122 HA GLU 17 HA GLU 17 0.093 1.400 6.312
123 HB2 GLU 17 2HB GLU 17 -2.518 2.688 5.646
124 HB3 GLU 17 1HB GLU 17 -2.532 1.237 6.633
125 HG2 GLU 17 2HG GLU 17 -2.559 3.038 8.129
126 HG3 GLU 17 1HG GLU 17 -0.913 2.409 8.168
127 H THR 18 H THR 18 -1.708 1.324 3.317
128 HA THR 18 HA THR 18 -2.595 -1.344 3.393
129 HB THR 18 HB THR 18 -1.918 0.065 0.828
130 HG1 THR 18 HG1 THR 18 -4.369 0.651 2.013
131 HG21 THR 18 3HG2 THR 18 -3.964 -0.961 0.052
132 HG22 THR 18 1HG2 THR 18 -4.336 -1.535 1.677
133 HG23 THR 18 2HG2 THR 18 -2.953 -2.194 0.804
134 H VAL 19 H VAL 19 0.200 0.113 1.690
135 HA VAL 19 HA VAL 19 1.227 -2.311 0.703
136 HB VAL 19 HB VAL 19 1.930 -0.232 -0.293
137 HG11 VAL 19 1HG1 VAL 19 1.830 1.117 1.785
138 HG12 VAL 19 2HG1 VAL 19 3.263 1.415 0.801
139 HG13 VAL 19 3HG1 VAL 19 3.382 0.424 2.254
140 HG21 VAL 19 3HG2 VAL 19 4.222 -1.655 1.049
141 HG22 VAL 19 1HG2 VAL 19 4.396 -0.507 -0.279
142 HG23 VAL 19 2HG2 VAL 19 3.516 -2.016 -0.527
143 H GLN 20 H GLN 20 1.708 -0.644 3.754
144 HA GLN 20 HA GLN 20 3.919 -2.100 4.681
145 HB2 GLN 20 2HB GLN 20 2.329 -0.043 5.641
146 HB3 GLN 20 1HB GLN 20 2.033 -1.355 6.774
147 HG2 GLN 20 2HG GLN 20 4.563 -1.572 6.939
148 HG3 GLN 20 1HG GLN 20 4.631 -0.018 6.107
149 HE21 GLN 20 1HE2 GLN 20 5.546 1.034 7.850
150 HE22 GLN 20 2HE2 GLN 20 4.658 1.396 9.288
151 H ARG 21 H ARG 21 0.503 -2.839 4.610
152 HA ARG 21 HA ARG 21 0.911 -5.209 6.262
153 HB2 ARG 21 2HB ARG 21 -1.052 -3.650 6.593
154 HB3 ARG 21 1HB ARG 21 -1.673 -4.226 5.054
155 HG2 ARG 21 2HG ARG 21 -2.737 -5.363 6.920
156 HG3 ARG 21 1HG ARG 21 -1.800 -6.490 5.938
157 HD2 ARG 21 2HD ARG 21 -1.528 -6.860 8.368
158 HD3 ARG 21 1HD ARG 21 -0.015 -6.488 7.550
159 HE ARG 21 HE ARG 21 -0.068 -4.308 8.532
160 HH11 ARG 21 1HH1 ARG 21 -2.518 -6.493 9.745
161 HH12 ARG 21 2HH1 ARG 21 -2.740 -5.624 11.227
162 HH21 ARG 21 1HH2 ARG 21 -0.371 -3.141 10.447
163 HH22 ARG 21 2HH2 ARG 21 -1.523 -3.694 11.627
164 H LEU 22 H LEU 22 0.728 -4.320 2.966
165 HA LEU 22 HA LEU 22 -0.097 -6.943 2.057
166 HB2 LEU 22 2HB LEU 22 0.744 -4.433 0.638
167 HB3 LEU 22 1HB LEU 22 0.474 -5.936 -0.221
168 HG LEU 22 HG LEU 22 -1.617 -4.538 1.449
169 HD11 LEU 22 1HD1 LEU 22 -1.149 -4.535 -1.529
170 HD12 LEU 22 2HD1 LEU 22 -1.098 -3.149 -0.437
171 HD13 LEU 22 3HD1 LEU 22 -2.627 -3.973 -0.747
172 HD21 LEU 22 3HD2 LEU 22 -2.017 -6.909 1.292
173 HD22 LEU 22 1HD2 LEU 22 -1.751 -6.877 -0.450
174 HD23 LEU 22 2HD2 LEU 22 -3.152 -6.063 0.242
175 H LEU 23 H LEU 23 2.825 -5.126 2.506
176 HA LEU 23 HA LEU 23 4.630 -6.468 0.928
177 HB2 LEU 23 2HB LEU 23 5.273 -4.494 2.111
178 HB3 LEU 23 1HB LEU 23 4.985 -5.256 3.660
179 HG LEU 23 HG LEU 23 6.875 -6.832 3.146
180 HD11 LEU 23 1HD1 LEU 23 8.450 -6.213 1.413
181 HD12 LEU 23 2HD1 LEU 23 7.407 -4.882 0.914
182 HD13 LEU 23 3HD1 LEU 23 6.866 -6.548 0.712
183 HD21 LEU 23 3HD2 LEU 23 7.494 -3.882 3.254
184 HD22 LEU 23 1HD2 LEU 23 8.621 -5.178 3.650
185 HD23 LEU 23 2HD2 LEU 23 7.176 -4.936 4.631
186 HA PRO 24 HA PRO 24 5.490 -9.733 4.427
187 HB2 PRO 24 2HB PRO 24 3.483 -10.138 6.237
188 HB3 PRO 24 1HB PRO 24 4.860 -9.068 6.524
189 HG2 PRO 24 2HG PRO 24 2.087 -8.384 5.623
190 HG3 PRO 24 1HG PRO 24 3.110 -7.568 6.820
191 HD2 PRO 24 2HD PRO 24 2.832 -6.619 4.328
192 HD3 PRO 24 1HD PRO 24 4.370 -6.501 5.206
193 H VAL 25 H VAL 25 2.719 -9.177 2.611
194 HA VAL 25 HA VAL 25 1.873 -11.984 2.690
195 HB VAL 25 HB VAL 25 0.535 -9.611 1.368
196 HG11 VAL 25 1HG1 VAL 25 -0.020 -11.631 0.190
197 HG12 VAL 25 2HG1 VAL 25 -1.406 -11.155 1.172
198 HG13 VAL 25 3HG1 VAL 25 -0.358 -12.472 1.703
199 HG21 VAL 25 3HG2 VAL 25 0.468 -9.430 3.788
200 HG22 VAL 25 1HG2 VAL 25 -0.140 -11.081 3.916
201 HG23 VAL 25 2HG2 VAL 25 -1.132 -9.832 3.164
202 H LEU 26 H LEU 26 2.506 -9.433 0.271
203 HA LEU 26 HA LEU 26 2.684 -11.253 -1.902
204 HB2 LEU 26 2HB LEU 26 3.221 -8.362 -1.492
205 HB3 LEU 26 1HB LEU 26 3.956 -9.126 -2.885
206 HG LEU 26 HG LEU 26 1.861 -8.057 -3.498
207 HD11 LEU 26 1HD1 LEU 26 0.859 -9.853 -4.682
208 HD12 LEU 26 2HD1 LEU 26 1.476 -11.040 -3.532
209 HD13 LEU 26 3HD1 LEU 26 2.589 -10.175 -4.595
210 HD21 LEU 26 3HD2 LEU 26 0.719 -8.158 -1.356
211 HD22 LEU 26 1HD2 LEU 26 0.590 -9.911 -1.488
212 HD23 LEU 26 2HD2 LEU 26 -0.276 -8.876 -2.624
213 H CYS 27 H CYS 27 5.092 -9.795 0.240
214 HA CYS 27 HA CYS 27 7.314 -10.743 -1.277
215 HB2 CYS 27 2HB CYS 27 7.105 -8.895 0.661
216 HB3 CYS 27 1HB CYS 27 7.652 -10.256 1.634
217 HG CYS 27 HG CYS 27 10.069 -10.566 0.444
218 H GLN 28 H GLN 28 5.182 -12.165 1.002
219 HA GLN 28 HA GLN 28 6.986 -14.321 1.694
220 HB2 GLN 28 2HB GLN 28 5.384 -13.495 3.358
221 HB3 GLN 28 1HB GLN 28 4.047 -13.930 2.302
222 HG2 GLN 28 2HG GLN 28 4.315 -16.193 2.667
223 HG3 GLN 28 1HG GLN 28 5.998 -16.018 3.162
224 HE21 GLN 28 1HE2 GLN 28 3.709 -17.336 4.481
225 HE22 GLN 28 2HE2 GLN 28 3.607 -16.612 6.050
226 H ALA 29 H ALA 29 4.114 -13.809 -0.289
227 HA ALA 29 HA ALA 29 3.851 -16.506 -1.130
228 HB1 ALA 29 3HB ALA 29 2.276 -15.636 -2.777
229 HB2 ALA 29 1HB ALA 29 2.808 -13.992 -2.425
230 HB3 ALA 29 2HB ALA 29 1.985 -14.936 -1.184
231 H HIS 30 H HIS 30 5.303 -13.647 -2.694
232 HA HIS 30 HA HIS 30 6.645 -15.518 -4.537
233 HB2 HIS 30 2HB HIS 30 5.155 -13.036 -5.100
234 HB3 HIS 30 1HB HIS 30 6.698 -13.183 -5.932
235 HD1 HIS 30 HD1 HIS 30 6.029 -13.781 -8.260
236 HD2 HIS 30 HD2 HIS 30 4.045 -16.066 -5.409
237 HE1 HIS 30 HE1 HIS 30 4.724 -15.492 -9.552
238 HE2 HIS 30 HE2 HIS 30 3.394 -16.742 -7.813
239 H GLY 31 H GLY 31 6.905 -12.301 -3.021
240 HA2 GLY 31 2HA GLY 31 8.865 -11.638 -1.824
241 HA3 GLY 31 1HA GLY 31 9.790 -12.794 -2.764
242 H LEU 32 H LEU 32 7.675 -11.000 -4.701
243 HA LEU 32 HA LEU 32 9.943 -9.426 -5.666
244 HB2 LEU 32 2HB LEU 32 8.992 -9.411 -7.751
245 HB3 LEU 32 1HB LEU 32 8.431 -10.951 -7.137
246 HG LEU 32 HG LEU 32 6.702 -8.516 -6.876
247 HD11 LEU 32 1HD1 LEU 32 6.930 -10.291 -9.298
248 HD12 LEU 32 2HD1 LEU 32 7.339 -8.579 -9.212
249 HD13 LEU 32 3HD1 LEU 32 5.663 -9.097 -9.024
250 HD21 LEU 32 3HD2 LEU 32 6.040 -10.526 -5.673
251 HD22 LEU 32 1HD2 LEU 32 6.115 -11.458 -7.167
252 HD23 LEU 32 2HD2 LEU 32 4.913 -10.183 -6.985
253 H THR 33 H THR 33 7.378 -9.035 -3.644
254 HA THR 33 HA THR 33 5.938 -7.327 -3.082
255 HB THR 33 HB THR 33 7.805 -7.072 -1.599
256 HG1 THR 33 HG1 THR 33 6.147 -5.441 -1.590
257 HG21 THR 33 3HG2 THR 33 9.628 -6.845 -3.200
258 HG22 THR 33 1HG2 THR 33 9.651 -5.519 -2.035
259 HG23 THR 33 2HG2 THR 33 9.038 -5.251 -3.668
260 HA PRO 34 HA PRO 34 5.752 -5.025 -7.087
261 HB2 PRO 34 2HB PRO 34 3.094 -5.413 -7.477
262 HB3 PRO 34 1HB PRO 34 4.319 -6.574 -7.998
263 HG2 PRO 34 2HG PRO 34 2.584 -6.618 -5.562
264 HG3 PRO 34 1HG PRO 34 3.025 -7.950 -6.646
265 HD2 PRO 34 2HD PRO 34 4.223 -7.544 -4.246
266 HD3 PRO 34 1HD PRO 34 5.067 -8.262 -5.630
267 H GLU 35 H GLU 35 3.707 -5.003 -4.224
268 HA GLU 35 HA GLU 35 2.393 -2.572 -4.650
269 HB2 GLU 35 2HB GLU 35 2.007 -2.565 -2.216
270 HB3 GLU 35 1HB GLU 35 1.662 -4.124 -2.943
271 HG2 GLU 35 2HG GLU 35 4.297 -3.546 -1.632
272 HG3 GLU 35 1HG GLU 35 2.898 -4.088 -0.707
273 H GLN 36 H GLN 36 5.620 -3.239 -3.459
274 HA GLN 36 HA GLN 36 6.036 -0.602 -2.427
275 HB2 GLN 36 2HB GLN 36 7.236 -2.742 -1.725
276 HB3 GLN 36 1HB GLN 36 8.203 -2.548 -3.181
277 HG2 GLN 36 2HG GLN 36 9.126 -0.519 -2.414
278 HG3 GLN 36 1HG GLN 36 7.956 -0.395 -1.104
279 HE21 GLN 36 1HE2 GLN 36 10.915 -0.432 -1.126
280 HE22 GLN 36 2HE2 GLN 36 11.360 -1.695 -0.035
281 H VAL 37 H VAL 37 6.037 -1.864 -5.601
282 HA VAL 37 HA VAL 37 7.697 0.407 -6.474
283 HB VAL 37 HB VAL 37 8.089 -0.762 -8.590
284 HG11 VAL 37 1HG1 VAL 37 9.693 -0.983 -6.780
285 HG12 VAL 37 2HG1 VAL 37 9.608 -2.474 -7.721
286 HG13 VAL 37 3HG1 VAL 37 8.810 -2.374 -6.150
287 HG21 VAL 37 3HG2 VAL 37 7.535 -3.179 -8.760
288 HG22 VAL 37 1HG2 VAL 37 6.120 -2.128 -8.775
289 HG23 VAL 37 2HG2 VAL 37 6.544 -3.015 -7.311
290 H VAL 38 H VAL 38 4.495 -0.775 -6.463
291 HA VAL 38 HA VAL 38 3.856 1.102 -8.635
292 HB VAL 38 HB VAL 38 3.209 -1.218 -9.154
293 HG11 VAL 38 1HG1 VAL 38 2.691 -2.041 -6.934
294 HG12 VAL 38 2HG1 VAL 38 1.311 -2.258 -8.012
295 HG13 VAL 38 3HG1 VAL 38 1.311 -0.947 -6.832
296 HG21 VAL 38 3HG2 VAL 38 2.006 0.709 -10.103
297 HG22 VAL 38 1HG2 VAL 38 0.838 0.603 -8.787
298 HG23 VAL 38 2HG2 VAL 38 0.984 -0.721 -9.945
299 H ALA 39 H ALA 39 2.639 -0.050 -5.471
300 HA ALA 39 HA ALA 39 0.700 2.033 -5.267
301 HB1 ALA 39 3HB ALA 39 0.419 1.292 -2.959
302 HB2 ALA 39 1HB ALA 39 1.871 0.296 -3.092
303 HB3 ALA 39 2HB ALA 39 0.448 -0.083 -4.064
304 H ILE 40 H ILE 40 3.892 1.492 -3.806
305 HA ILE 40 HA ILE 40 4.035 3.887 -2.358
306 HB ILE 40 HB ILE 40 6.169 2.096 -3.500
307 HG12 ILE 40 2HG1 ILE 40 4.795 1.261 -1.619
308 HG13 ILE 40 1HG1 ILE 40 6.495 1.425 -1.193
309 HG21 ILE 40 1HG2 ILE 40 7.833 3.324 -2.189
310 HG22 ILE 40 2HG2 ILE 40 6.608 4.512 -1.750
311 HG23 ILE 40 3HG2 ILE 40 7.110 4.341 -3.433
312 HD11 ILE 40 3HD1 ILE 40 5.236 2.212 0.646
313 HD12 ILE 40 1HD1 ILE 40 4.203 3.198 -0.390
314 HD13 ILE 40 2HD1 ILE 40 5.894 3.637 -0.158
315 H ALA 41 H ALA 41 4.985 3.091 -5.665
316 HA ALA 41 HA ALA 41 6.227 5.521 -6.313
317 HB1 ALA 41 3HB ALA 41 6.005 4.854 -8.620
318 HB2 ALA 41 1HB ALA 41 4.777 3.667 -8.194
319 HB3 ALA 41 2HB ALA 41 6.438 3.451 -7.643
320 H SER 42 H SER 42 2.850 4.474 -6.644
321 HA SER 42 HA SER 42 1.926 6.753 -8.007
322 HB2 SER 42 2HB SER 42 0.393 4.932 -6.134
323 HB3 SER 42 1HB SER 42 -0.313 6.029 -7.320
324 HG SER 42 HG SER 42 1.196 3.671 -7.760
325 H HIS 43 H HIS 43 2.418 6.103 -4.584
326 HA HIS 43 HA HIS 43 1.111 8.542 -3.774
327 HB2 HIS 43 2HB HIS 43 1.145 6.508 -2.330
328 HB3 HIS 43 1HB HIS 43 2.879 6.723 -2.125
329 HD1 HIS 43 HD1 HIS 43 -0.381 7.854 -0.814
330 HD2 HIS 43 HD2 HIS 43 3.583 9.102 -0.624
331 HE1 HIS 43 HE1 HIS 43 -0.273 9.477 1.092
332 HE2 HIS 43 HE2 HIS 43 2.052 10.429 0.983
333 H ASP 44 H ASP 44 4.399 7.405 -4.267
334 HA ASP 44 HA ASP 44 5.707 9.671 -3.174
335 HB2 ASP 44 2HB ASP 44 6.878 7.552 -3.478
336 HB3 ASP 44 1HB ASP 44 6.679 7.665 -5.224
337 H GLY 45 H GLY 45 4.897 8.774 -6.515
338 HA2 GLY 45 2HA GLY 45 5.375 11.595 -7.260
339 HA3 GLY 45 1HA GLY 45 5.702 10.241 -8.332
340 H GLY 46 H GLY 46 3.256 12.277 -6.941
341 HA2 GLY 46 2HA GLY 46 1.513 12.649 -8.820
342 HA3 GLY 46 1HA GLY 46 1.192 10.942 -8.559
343 H LYS 47 H LYS 47 0.630 10.322 -6.306
344 HA LYS 47 HA LYS 47 -1.490 12.019 -5.377
345 HB2 LYS 47 2HB LYS 47 -1.431 9.450 -5.469
346 HB3 LYS 47 1HB LYS 47 -0.485 9.544 -3.994
347 HG2 LYS 47 2HG LYS 47 -2.524 9.321 -3.056
348 HG3 LYS 47 1HG LYS 47 -2.524 11.074 -3.249
349 HD2 LYS 47 2HD LYS 47 -4.173 11.019 -4.773
350 HD3 LYS 47 1HD LYS 47 -3.480 9.630 -5.609
351 HE2 LYS 47 2HE LYS 47 -5.716 9.200 -4.604
352 HE3 LYS 47 1HE LYS 47 -4.451 8.111 -4.039
353 HZ1 LYS 47 3HZ LYS 47 -5.942 8.980 -2.266
354 HZ2 LYS 47 1HZ LYS 47 -5.322 10.528 -2.559
355 HZ3 LYS 47 2HZ LYS 47 -4.297 9.297 -1.999
356 H GLN 48 H GLN 48 1.755 12.101 -4.823
357 HA GLN 48 HA GLN 48 2.079 12.372 -2.073
358 HB2 GLN 48 2HB GLN 48 3.864 12.268 -3.883
359 HB3 GLN 48 1HB GLN 48 3.583 13.984 -4.123
360 HG2 GLN 48 2HG GLN 48 5.466 13.775 -2.713
361 HG3 GLN 48 1HG GLN 48 4.124 14.330 -1.711
362 HE21 GLN 48 1HE2 GLN 48 6.278 11.706 -2.427
363 HE22 GLN 48 2HE2 GLN 48 5.893 10.748 -1.038
364 H ALA 49 H ALA 49 1.186 14.805 -4.487
365 HA ALA 49 HA ALA 49 0.851 16.801 -2.371
366 HB1 ALA 49 3HB ALA 49 0.645 18.429 -4.161
367 HB2 ALA 49 1HB ALA 49 0.659 17.139 -5.365
368 HB3 ALA 49 2HB ALA 49 2.095 17.453 -4.390
369 H LEU 50 H LEU 50 -0.951 14.417 -3.057
370 HA LEU 50 HA LEU 50 -3.457 15.960 -3.262
371 HB2 LEU 50 2HB LEU 50 -2.532 13.582 -4.699
372 HB3 LEU 50 1HB LEU 50 -4.130 13.400 -4.013
373 HG LEU 50 HG LEU 50 -4.307 14.131 -6.301
374 HD11 LEU 50 1HD1 LEU 50 -5.667 16.112 -6.024
375 HD12 LEU 50 2HD1 LEU 50 -4.957 16.403 -4.437
376 HD13 LEU 50 3HD1 LEU 50 -5.954 14.974 -4.709
377 HD21 LEU 50 3HD2 LEU 50 -3.417 16.293 -7.038
378 HD22 LEU 50 1HD2 LEU 50 -2.137 15.183 -6.547
379 HD23 LEU 50 2HD2 LEU 50 -2.627 16.490 -5.473
380 H GLU 51 H GLU 51 -1.724 13.340 -1.733
381 HA GLU 51 HA GLU 51 -3.978 12.749 0.023
382 HB2 GLU 51 2HB GLU 51 -2.221 11.086 -1.127
383 HB3 GLU 51 1HB GLU 51 -1.340 11.423 0.355
384 HG2 GLU 51 2HG GLU 51 -2.931 10.417 1.689
385 HG3 GLU 51 1HG GLU 51 -4.200 10.580 0.476
Start of MODEL 18
1 H1 GLU 1 1HT GLU 1 -15.859 -3.320 2.795
2 H2 GLU 1 2HT GLU 1 -15.508 -4.745 3.629
3 H3 GLU 1 3HT GLU 1 -14.971 -4.544 2.042
4 HA GLU 1 HA GLU 1 -13.485 -2.817 2.673
5 HB2 GLU 1 2HB GLU 1 -13.226 -2.222 5.060
6 HB3 GLU 1 1HB GLU 1 -14.812 -1.802 4.432
7 HG2 GLU 1 2HG GLU 1 -15.476 -4.144 5.398
8 HG3 GLU 1 1HG GLU 1 -14.047 -3.899 6.400
9 H GLN 2 H GLN 2 -11.365 -3.247 3.596
10 HA GLN 2 HA GLN 2 -10.993 -6.020 4.470
11 HB2 GLN 2 2HB GLN 2 -9.002 -6.203 2.997
12 HB3 GLN 2 1HB GLN 2 -10.507 -6.045 2.101
13 HG2 GLN 2 2HG GLN 2 -9.086 -3.532 2.666
14 HG3 GLN 2 1HG GLN 2 -8.270 -4.646 1.574
15 HE21 GLN 2 1HE2 GLN 2 -8.521 -3.402 -0.238
16 HE22 GLN 2 2HE2 GLN 2 -10.056 -3.113 -0.982
17 H VAL 3 H VAL 3 -8.676 -6.339 5.278
18 HA VAL 3 HA VAL 3 -8.214 -4.536 7.382
19 HB VAL 3 HB VAL 3 -6.102 -5.760 7.774
20 HG11 VAL 3 1HG1 VAL 3 -7.127 -7.935 8.236
21 HG12 VAL 3 2HG1 VAL 3 -8.496 -7.504 7.212
22 HG13 VAL 3 3HG1 VAL 3 -8.182 -6.602 8.694
23 HG21 VAL 3 3HG2 VAL 3 -6.801 -7.078 5.159
24 HG22 VAL 3 1HG2 VAL 3 -5.714 -7.814 6.339
25 HG23 VAL 3 2HG2 VAL 3 -5.303 -6.261 5.607
26 H VAL 4 H VAL 4 -6.754 -4.789 4.192
27 HA VAL 4 HA VAL 4 -4.750 -2.799 4.770
28 HB VAL 4 HB VAL 4 -4.147 -2.973 2.397
29 HG11 VAL 4 1HG1 VAL 4 -3.224 -4.559 4.018
30 HG12 VAL 4 2HG1 VAL 4 -3.401 -5.288 2.427
31 HG13 VAL 4 3HG1 VAL 4 -4.561 -5.662 3.699
32 HG21 VAL 4 3HG2 VAL 4 -6.370 -4.994 2.161
33 HG22 VAL 4 1HG2 VAL 4 -5.267 -4.468 0.889
34 HG23 VAL 4 2HG2 VAL 4 -6.457 -3.343 1.546
35 H ALA 5 H ALA 5 -7.800 -2.319 4.774
36 HA ALA 5 HA ALA 5 -7.701 0.171 3.210
37 HB1 ALA 5 3HB ALA 5 -10.099 -0.050 2.781
38 HB2 ALA 5 1HB ALA 5 -10.105 -1.608 3.606
39 HB3 ALA 5 2HB ALA 5 -9.196 -1.406 2.109
40 H ILE 6 H ILE 6 -9.298 -1.496 5.926
41 HA ILE 6 HA ILE 6 -10.365 0.841 7.086
42 HB ILE 6 HB ILE 6 -10.476 -0.552 9.210
43 HG12 ILE 6 2HG1 ILE 6 -9.419 -2.673 7.322
44 HG13 ILE 6 1HG1 ILE 6 -8.618 -2.073 8.770
45 HG21 ILE 6 1HG2 ILE 6 -12.271 -1.968 8.321
46 HG22 ILE 6 2HG2 ILE 6 -11.716 -1.631 6.682
47 HG23 ILE 6 3HG2 ILE 6 -12.348 -0.326 7.685
48 HD11 ILE 6 3HD1 ILE 6 -10.444 -2.989 10.127
49 HD12 ILE 6 1HD1 ILE 6 -9.610 -4.225 9.189
50 HD13 ILE 6 2HD1 ILE 6 -11.187 -3.635 8.664
51 H ALA 7 H ALA 7 -7.327 -0.896 7.656
52 HA ALA 7 HA ALA 7 -6.443 0.655 9.829
53 HB1 ALA 7 3HB ALA 7 -4.224 -0.239 9.341
54 HB2 ALA 7 1HB ALA 7 -4.797 -0.818 7.775
55 HB3 ALA 7 2HB ALA 7 -5.454 -1.503 9.264
56 H SER 8 H SER 8 -5.947 0.963 6.345
57 HA SER 8 HA SER 8 -4.219 3.172 6.416
58 HB2 SER 8 2HB SER 8 -6.097 2.868 4.129
59 HB3 SER 8 1HB SER 8 -4.341 3.074 4.131
60 HG SER 8 HG SER 8 -5.242 0.914 3.532
61 H ASN 9 H ASN 9 -7.705 2.895 6.432
62 HA ASN 9 HA ASN 9 -8.355 5.590 5.944
63 HB2 ASN 9 2HB ASN 9 -10.083 3.950 5.758
64 HB3 ASN 9 1HB ASN 9 -9.815 3.378 7.399
65 HD21 ASN 9 1HD2 ASN 9 -10.834 4.346 9.052
66 HD22 ASN 9 2HD2 ASN 9 -11.945 5.657 8.876
67 H ILE 10 H ILE 10 -7.508 3.846 8.863
68 HA ILE 10 HA ILE 10 -8.045 6.105 10.588
69 HB ILE 10 HB ILE 10 -6.651 3.493 11.203
70 HG12 ILE 10 2HG1 ILE 10 -9.498 4.318 11.814
71 HG13 ILE 10 1HG1 ILE 10 -9.045 3.316 10.439
72 HG21 ILE 10 1HG2 ILE 10 -7.168 4.060 13.556
73 HG22 ILE 10 2HG2 ILE 10 -7.736 5.642 13.020
74 HG23 ILE 10 3HG2 ILE 10 -6.045 5.192 12.805
75 HD11 ILE 10 3HD1 ILE 10 -8.570 2.615 13.324
76 HD12 ILE 10 1HD1 ILE 10 -8.225 1.599 11.927
77 HD13 ILE 10 2HD1 ILE 10 -9.892 2.010 12.326
78 H GLY 11 H GLY 11 -5.238 4.460 9.205
79 HA2 GLY 11 2HA GLY 11 -3.235 5.907 10.554
80 HA3 GLY 11 1HA GLY 11 -3.039 5.089 9.011
81 H GLY 12 H GLY 12 -4.871 6.530 7.478
82 HA2 GLY 12 2HA GLY 12 -5.355 8.871 6.956
83 HA3 GLY 12 1HA GLY 12 -3.760 9.266 7.579
84 H LYS 13 H LYS 13 -2.538 6.911 6.250
85 HA LYS 13 HA LYS 13 -2.436 8.086 3.554
86 HB2 LYS 13 2HB LYS 13 -0.417 6.456 5.090
87 HB3 LYS 13 1HB LYS 13 -0.236 6.862 3.389
88 HG2 LYS 13 2HG LYS 13 0.969 8.559 4.293
89 HG3 LYS 13 1HG LYS 13 -0.622 9.313 4.327
90 HD2 LYS 13 2HD LYS 13 0.389 9.679 6.455
91 HD3 LYS 13 1HD LYS 13 -0.880 8.467 6.670
92 HE2 LYS 13 2HE LYS 13 1.321 6.939 6.077
93 HE3 LYS 13 1HE LYS 13 2.009 8.244 7.042
94 HZ1 LYS 13 3HZ LYS 13 1.321 6.425 8.441
95 HZ2 LYS 13 1HZ LYS 13 -0.257 6.488 7.825
96 HZ3 LYS 13 2HZ LYS 13 0.353 7.772 8.755
97 H GLN 14 H GLN 14 -3.848 7.074 2.344
98 HA GLN 14 HA GLN 14 -4.710 4.427 2.598
99 HB2 GLN 14 2HB GLN 14 -5.640 4.753 0.300
100 HB3 GLN 14 1HB GLN 14 -6.080 6.009 1.447
101 HG2 GLN 14 2HG GLN 14 -4.492 7.529 0.499
102 HG3 GLN 14 1HG GLN 14 -3.834 6.265 -0.538
103 HE21 GLN 14 1HE2 GLN 14 -6.415 5.156 -1.231
104 HE22 GLN 14 2HE2 GLN 14 -7.158 6.280 -2.315
105 H ALA 15 H ALA 15 -1.978 5.759 0.872
106 HA ALA 15 HA ALA 15 -1.570 3.203 -0.494
107 HB1 ALA 15 3HB ALA 15 -0.291 5.891 -0.899
108 HB2 ALA 15 1HB ALA 15 -1.483 5.105 -1.932
109 HB3 ALA 15 2HB ALA 15 0.144 4.435 -1.795
110 H LEU 16 H LEU 16 -0.583 4.584 2.379
111 HA LEU 16 HA LEU 16 2.047 3.271 2.209
112 HB2 LEU 16 2HB LEU 16 1.067 5.399 4.098
113 HB3 LEU 16 1HB LEU 16 2.600 4.571 4.276
114 HG LEU 16 HG LEU 16 1.782 6.408 2.024
115 HD11 LEU 16 1HD1 LEU 16 4.122 6.658 3.882
116 HD12 LEU 16 2HD1 LEU 16 2.540 7.324 4.273
117 HD13 LEU 16 3HD1 LEU 16 3.402 7.887 2.843
118 HD21 LEU 16 3HD2 LEU 16 4.116 6.033 1.210
119 HD22 LEU 16 1HD2 LEU 16 3.043 4.650 1.019
120 HD23 LEU 16 2HD2 LEU 16 4.226 4.673 2.325
121 H GLU 17 H GLU 17 -0.829 3.537 4.264
122 HA GLU 17 HA GLU 17 0.108 1.648 6.170
123 HB2 GLU 17 2HB GLU 17 -2.447 3.026 5.589
124 HB3 GLU 17 1HB GLU 17 -2.557 1.528 6.501
125 HG2 GLU 17 2HG GLU 17 -2.457 3.350 8.033
126 HG3 GLU 17 1HG GLU 17 -0.939 2.458 8.129
127 H THR 18 H THR 18 -1.383 1.395 3.084
128 HA THR 18 HA THR 18 -2.340 -1.284 3.456
129 HB THR 18 HB THR 18 -3.298 0.496 1.857
130 HG1 THR 18 HG1 THR 18 -4.308 -1.347 1.542
131 HG21 THR 18 3HG2 THR 18 -1.121 -0.612 0.084
132 HG22 THR 18 1HG2 THR 18 -1.238 1.047 0.672
133 HG23 THR 18 2HG2 THR 18 -2.453 0.418 -0.441
134 H VAL 19 H VAL 19 0.553 0.204 2.029
135 HA VAL 19 HA VAL 19 1.491 -2.213 0.841
136 HB VAL 19 HB VAL 19 2.241 -0.063 -0.021
137 HG11 VAL 19 1HG1 VAL 19 2.306 1.189 2.071
138 HG12 VAL 19 2HG1 VAL 19 3.819 1.337 1.182
139 HG13 VAL 19 3HG1 VAL 19 3.719 0.269 2.581
140 HG21 VAL 19 3HG2 VAL 19 4.516 -1.663 1.134
141 HG22 VAL 19 1HG2 VAL 19 4.632 -0.529 -0.211
142 HG23 VAL 19 2HG2 VAL 19 3.672 -1.996 -0.375
143 H GLN 20 H GLN 20 1.967 -0.686 3.976
144 HA GLN 20 HA GLN 20 4.127 -2.289 4.827
145 HB2 GLN 20 2HB GLN 20 1.989 -0.847 6.396
146 HB3 GLN 20 1HB GLN 20 3.378 -1.632 7.138
147 HG2 GLN 20 2HG GLN 20 4.826 -0.140 5.700
148 HG3 GLN 20 1HG GLN 20 3.354 0.754 5.315
149 HE21 GLN 20 1HE2 GLN 20 4.024 2.629 6.324
150 HE22 GLN 20 2HE2 GLN 20 4.169 2.771 8.039
151 H ARG 21 H ARG 21 0.739 -2.900 4.581
152 HA ARG 21 HA ARG 21 0.929 -5.278 6.265
153 HB2 ARG 21 2HB ARG 21 -0.980 -3.636 6.474
154 HB3 ARG 21 1HB ARG 21 -1.515 -4.174 4.889
155 HG2 ARG 21 2HG ARG 21 -2.794 -5.327 6.536
156 HG3 ARG 21 1HG ARG 21 -1.681 -6.485 5.803
157 HD2 ARG 21 2HD ARG 21 -1.724 -6.804 8.199
158 HD3 ARG 21 1HD ARG 21 -0.153 -6.187 7.710
159 HE ARG 21 HE ARG 21 -0.764 -4.053 8.613
160 HH11 ARG 21 1HH1 ARG 21 -2.981 -6.653 9.386
161 HH12 ARG 21 2HH1 ARG 21 -3.643 -5.837 10.765
162 HH21 ARG 21 1HH2 ARG 21 -1.624 -2.996 10.426
163 HH22 ARG 21 2HH2 ARG 21 -2.862 -3.766 11.370
164 H LEU 22 H LEU 22 0.649 -4.322 2.922
165 HA LEU 22 HA LEU 22 -0.094 -6.947 2.000
166 HB2 LEU 22 2HB LEU 22 0.662 -4.384 0.635
167 HB3 LEU 22 1HB LEU 22 0.513 -5.875 -0.274
168 HG LEU 22 HG LEU 22 -1.708 -4.670 1.378
169 HD11 LEU 22 1HD1 LEU 22 -1.217 -4.576 -1.596
170 HD12 LEU 22 2HD1 LEU 22 -1.161 -3.211 -0.482
171 HD13 LEU 22 3HD1 LEU 22 -2.687 -4.038 -0.786
172 HD21 LEU 22 3HD2 LEU 22 -1.921 -7.071 1.125
173 HD22 LEU 22 1HD2 LEU 22 -1.654 -6.935 -0.612
174 HD23 LEU 22 2HD2 LEU 22 -3.110 -6.256 0.110
175 H LEU 23 H LEU 23 2.861 -5.060 2.205
176 HA LEU 23 HA LEU 23 4.581 -6.454 0.612
177 HB2 LEU 23 2HB LEU 23 5.150 -4.407 1.840
178 HB3 LEU 23 1HB LEU 23 5.216 -5.319 3.332
179 HG LEU 23 HG LEU 23 6.962 -6.515 1.379
180 HD11 LEU 23 1HD1 LEU 23 8.577 -4.694 1.190
181 HD12 LEU 23 2HD1 LEU 23 7.444 -3.601 1.983
182 HD13 LEU 23 3HD1 LEU 23 7.052 -4.285 0.404
183 HD21 LEU 23 3HD2 LEU 23 7.498 -5.131 4.007
184 HD22 LEU 23 1HD2 LEU 23 8.604 -6.206 3.151
185 HD23 LEU 23 2HD2 LEU 23 7.092 -6.835 3.805
186 HA PRO 24 HA PRO 24 5.707 -9.580 4.184
187 HB2 PRO 24 2HB PRO 24 3.678 -10.061 5.970
188 HB3 PRO 24 1HB PRO 24 5.039 -8.975 6.279
189 HG2 PRO 24 2HG PRO 24 2.268 -8.326 5.347
190 HG3 PRO 24 1HG PRO 24 3.266 -7.498 6.557
191 HD2 PRO 24 2HD PRO 24 3.022 -6.519 4.083
192 HD3 PRO 24 1HD PRO 24 4.574 -6.450 4.948
193 H VAL 25 H VAL 25 2.547 -9.208 2.771
194 HA VAL 25 HA VAL 25 2.017 -12.060 2.771
195 HB VAL 25 HB VAL 25 0.486 -9.819 1.437
196 HG11 VAL 25 1HG1 VAL 25 0.063 -11.977 0.390
197 HG12 VAL 25 2HG1 VAL 25 -1.350 -11.433 1.297
198 HG13 VAL 25 3HG1 VAL 25 -0.299 -12.683 1.968
199 HG21 VAL 25 3HG2 VAL 25 0.503 -9.539 3.847
200 HG22 VAL 25 1HG2 VAL 25 0.013 -11.219 4.068
201 HG23 VAL 25 2HG2 VAL 25 -1.092 -10.071 3.311
202 H LEU 26 H LEU 26 2.662 -9.511 0.371
203 HA LEU 26 HA LEU 26 2.720 -11.302 -1.833
204 HB2 LEU 26 2HB LEU 26 3.583 -8.467 -1.423
205 HB3 LEU 26 1HB LEU 26 4.046 -9.312 -2.886
206 HG LEU 26 HG LEU 26 2.115 -8.154 -3.495
207 HD11 LEU 26 1HD1 LEU 26 0.559 -9.799 -4.088
208 HD12 LEU 26 2HD1 LEU 26 0.911 -10.771 -2.664
209 HD13 LEU 26 3HD1 LEU 26 2.095 -10.652 -3.962
210 HD21 LEU 26 3HD2 LEU 26 1.458 -7.460 -1.244
211 HD22 LEU 26 1HD2 LEU 26 0.808 -9.072 -0.940
212 HD23 LEU 26 2HD2 LEU 26 0.080 -8.047 -2.176
213 H CYS 27 H CYS 27 5.147 -10.188 0.430
214 HA CYS 27 HA CYS 27 7.326 -11.262 -1.092
215 HB2 CYS 27 2HB CYS 27 7.108 -10.170 1.706
216 HB3 CYS 27 1HB CYS 27 8.608 -10.847 1.078
217 HG CYS 27 HG CYS 27 8.288 -7.896 1.064
218 H GLN 28 H GLN 28 5.028 -12.531 1.088
219 HA GLN 28 HA GLN 28 6.656 -14.773 1.930
220 HB2 GLN 28 2HB GLN 28 4.799 -13.633 3.293
221 HB3 GLN 28 1HB GLN 28 3.673 -14.499 2.261
222 HG2 GLN 28 2HG GLN 28 4.631 -16.622 2.996
223 HG3 GLN 28 1HG GLN 28 5.756 -15.750 4.036
224 HE21 GLN 28 1HE2 GLN 28 3.716 -17.717 4.736
225 HE22 GLN 28 2HE2 GLN 28 2.660 -16.933 5.860
226 H ALA 29 H ALA 29 4.166 -14.084 -0.445
227 HA ALA 29 HA ALA 29 4.048 -16.894 -1.237
228 HB1 ALA 29 3HB ALA 29 2.155 -16.265 -2.605
229 HB2 ALA 29 1HB ALA 29 2.442 -14.560 -2.256
230 HB3 ALA 29 2HB ALA 29 1.949 -15.652 -0.964
231 H HIS 30 H HIS 30 5.457 -13.903 -2.273
232 HA HIS 30 HA HIS 30 6.455 -15.289 -4.665
233 HB2 HIS 30 2HB HIS 30 4.931 -12.774 -4.555
234 HB3 HIS 30 1HB HIS 30 6.407 -12.690 -5.512
235 HD1 HIS 30 HD1 HIS 30 6.396 -13.821 -7.774
236 HD2 HIS 30 HD2 HIS 30 3.010 -14.664 -5.518
237 HE1 HIS 30 HE1 HIS 30 4.789 -14.930 -9.358
238 HE2 HIS 30 HE2 HIS 30 2.681 -15.248 -8.015
239 H GLY 31 H GLY 31 6.928 -12.101 -3.119
240 HA2 GLY 31 2HA GLY 31 8.944 -11.637 -1.851
241 HA3 GLY 31 1HA GLY 31 9.781 -12.806 -2.852
242 H LEU 32 H LEU 32 7.693 -10.782 -4.632
243 HA LEU 32 HA LEU 32 10.029 -9.243 -5.523
244 HB2 LEU 32 2HB LEU 32 9.054 -9.048 -7.654
245 HB3 LEU 32 1HB LEU 32 8.776 -10.710 -7.171
246 HG LEU 32 HG LEU 32 6.493 -9.365 -6.320
247 HD11 LEU 32 1HD1 LEU 32 7.303 -8.407 -9.060
248 HD12 LEU 32 2HD1 LEU 32 7.110 -7.408 -7.620
249 HD13 LEU 32 3HD1 LEU 32 5.709 -8.206 -8.335
250 HD21 LEU 32 3HD2 LEU 32 6.600 -11.609 -7.265
251 HD22 LEU 32 1HD2 LEU 32 6.947 -10.927 -8.851
252 HD23 LEU 32 2HD2 LEU 32 5.391 -10.622 -8.085
253 H THR 33 H THR 33 7.188 -8.985 -3.791
254 HA THR 33 HA THR 33 5.735 -7.330 -3.226
255 HB THR 33 HB THR 33 7.489 -7.075 -1.607
256 HG1 THR 33 HG1 THR 33 5.711 -5.504 -1.761
257 HG21 THR 33 3HG2 THR 33 9.423 -6.674 -3.023
258 HG22 THR 33 1HG2 THR 33 9.267 -5.382 -1.834
259 HG23 THR 33 2HG2 THR 33 8.776 -5.105 -3.506
260 HA PRO 34 HA PRO 34 5.640 -5.041 -7.216
261 HB2 PRO 34 2HB PRO 34 2.913 -5.214 -7.425
262 HB3 PRO 34 1HB PRO 34 4.032 -6.416 -8.073
263 HG2 PRO 34 2HG PRO 34 2.451 -6.464 -5.542
264 HG3 PRO 34 1HG PRO 34 2.795 -7.785 -6.671
265 HD2 PRO 34 2HD PRO 34 4.106 -7.490 -4.327
266 HD3 PRO 34 1HD PRO 34 4.881 -8.174 -5.770
267 H GLU 35 H GLU 35 3.625 -4.744 -4.324
268 HA GLU 35 HA GLU 35 2.622 -2.166 -4.833
269 HB2 GLU 35 2HB GLU 35 2.282 -2.062 -2.334
270 HB3 GLU 35 1HB GLU 35 1.554 -3.442 -3.137
271 HG2 GLU 35 2HG GLU 35 4.214 -3.574 -1.746
272 HG3 GLU 35 1HG GLU 35 2.685 -3.895 -0.932
273 H GLN 36 H GLN 36 5.710 -3.246 -3.641
274 HA GLN 36 HA GLN 36 6.493 -0.766 -2.485
275 HB2 GLN 36 2HB GLN 36 7.510 -3.102 -2.112
276 HB3 GLN 36 1HB GLN 36 8.402 -2.807 -3.598
277 HG2 GLN 36 2HG GLN 36 8.537 -0.680 -1.563
278 HG3 GLN 36 1HG GLN 36 9.318 -2.204 -1.149
279 HE21 GLN 36 1HE2 GLN 36 10.447 0.447 -1.714
280 HE22 GLN 36 2HE2 GLN 36 11.582 0.204 -2.997
281 H VAL 37 H VAL 37 6.487 -2.014 -5.741
282 HA VAL 37 HA VAL 37 8.139 0.240 -6.605
283 HB VAL 37 HB VAL 37 8.368 -0.850 -8.758
284 HG11 VAL 37 1HG1 VAL 37 9.934 -1.423 -6.981
285 HG12 VAL 37 2HG1 VAL 37 9.663 -2.793 -8.055
286 HG13 VAL 37 3HG1 VAL 37 8.885 -2.748 -6.474
287 HG21 VAL 37 3HG2 VAL 37 7.482 -3.117 -9.142
288 HG22 VAL 37 1HG2 VAL 37 6.198 -1.923 -8.941
289 HG23 VAL 37 2HG2 VAL 37 6.602 -3.014 -7.616
290 H VAL 38 H VAL 38 4.814 -0.862 -6.716
291 HA VAL 38 HA VAL 38 4.282 1.287 -8.653
292 HB VAL 38 HB VAL 38 3.517 -0.938 -9.378
293 HG11 VAL 38 1HG1 VAL 38 2.929 -1.922 -7.240
294 HG12 VAL 38 2HG1 VAL 38 1.554 -1.975 -8.344
295 HG13 VAL 38 3HG1 VAL 38 1.606 -0.772 -7.055
296 HG21 VAL 38 3HG2 VAL 38 1.251 -0.259 -10.044
297 HG22 VAL 38 1HG2 VAL 38 2.429 1.037 -10.246
298 HG23 VAL 38 2HG2 VAL 38 1.319 1.060 -8.876
299 H ALA 39 H ALA 39 2.897 -0.059 -5.626
300 HA ALA 39 HA ALA 39 1.030 2.040 -5.281
301 HB1 ALA 39 3HB ALA 39 0.794 -0.120 -4.152
302 HB2 ALA 39 1HB ALA 39 0.776 1.216 -3.001
303 HB3 ALA 39 2HB ALA 39 2.228 0.230 -3.184
304 H ILE 40 H ILE 40 4.265 1.482 -3.935
305 HA ILE 40 HA ILE 40 4.403 3.803 -2.371
306 HB ILE 40 HB ILE 40 6.564 2.175 -3.704
307 HG12 ILE 40 2HG1 ILE 40 5.244 1.110 -1.887
308 HG13 ILE 40 1HG1 ILE 40 6.948 1.285 -1.488
309 HG21 ILE 40 1HG2 ILE 40 8.195 3.339 -2.305
310 HG22 ILE 40 2HG2 ILE 40 6.931 4.422 -1.723
311 HG23 ILE 40 3HG2 ILE 40 7.403 4.448 -3.424
312 HD11 ILE 40 3HD1 ILE 40 5.733 1.857 0.448
313 HD12 ILE 40 1HD1 ILE 40 4.638 2.900 -0.458
314 HD13 ILE 40 2HD1 ILE 40 6.321 3.372 -0.236
315 H ALA 41 H ALA 41 5.219 3.185 -5.747
316 HA ALA 41 HA ALA 41 6.357 5.681 -6.342
317 HB1 ALA 41 3HB ALA 41 5.981 5.108 -8.680
318 HB2 ALA 41 1HB ALA 41 4.895 3.804 -8.196
319 HB3 ALA 41 2HB ALA 41 6.610 3.722 -7.788
320 H SER 42 H SER 42 3.033 4.568 -6.258
321 HA SER 42 HA SER 42 1.853 6.754 -7.593
322 HB2 SER 42 2HB SER 42 0.618 5.020 -5.440
323 HB3 SER 42 1HB SER 42 -0.249 5.979 -6.640
324 HG SER 42 HG SER 42 1.580 3.937 -7.381
325 H HIS 43 H HIS 43 2.346 6.088 -4.126
326 HA HIS 43 HA HIS 43 1.289 8.589 -3.277
327 HB2 HIS 43 2HB HIS 43 1.334 6.733 -1.726
328 HB3 HIS 43 1HB HIS 43 3.084 6.613 -1.862
329 HD1 HIS 43 HD1 HIS 43 0.371 8.672 -0.246
330 HD2 HIS 43 HD2 HIS 43 4.536 8.457 -0.326
331 HE1 HIS 43 HE1 HIS 43 1.175 10.172 1.602
332 HE2 HIS 43 HE2 HIS 43 3.679 10.214 1.367
333 H ASP 44 H ASP 44 4.497 7.424 -4.081
334 HA ASP 44 HA ASP 44 5.936 9.664 -3.122
335 HB2 ASP 44 2HB ASP 44 7.058 7.561 -3.548
336 HB3 ASP 44 1HB ASP 44 6.627 7.634 -5.252
337 H GLY 45 H GLY 45 4.660 8.848 -6.331
338 HA2 GLY 45 2HA GLY 45 5.040 11.676 -7.083
339 HA3 GLY 45 1HA GLY 45 5.427 10.375 -8.192
340 H GLY 46 H GLY 46 3.116 12.591 -7.370
341 HA2 GLY 46 2HA GLY 46 1.217 12.759 -8.892
342 HA3 GLY 46 1HA GLY 46 1.033 11.016 -8.752
343 H LYS 47 H LYS 47 0.766 10.283 -6.381
344 HA LYS 47 HA LYS 47 -1.599 11.601 -5.413
345 HB2 LYS 47 2HB LYS 47 -1.525 9.186 -5.430
346 HB3 LYS 47 1HB LYS 47 -0.079 9.181 -4.440
347 HG2 LYS 47 2HG LYS 47 -1.743 8.638 -2.932
348 HG3 LYS 47 1HG LYS 47 -1.543 10.372 -2.684
349 HD2 LYS 47 2HD LYS 47 -3.875 9.993 -2.764
350 HD3 LYS 47 1HD LYS 47 -3.441 10.694 -4.325
351 HE2 LYS 47 2HE LYS 47 -3.624 8.629 -5.427
352 HE3 LYS 47 1HE LYS 47 -3.591 7.723 -3.917
353 HZ1 LYS 47 3HZ LYS 47 -5.770 8.645 -3.377
354 HZ2 LYS 47 1HZ LYS 47 -5.806 7.796 -4.841
355 HZ3 LYS 47 2HZ LYS 47 -5.791 9.483 -4.848
356 H GLN 48 H GLN 48 1.736 11.822 -4.740
357 HA GLN 48 HA GLN 48 1.832 12.398 -2.027
358 HB2 GLN 48 2HB GLN 48 3.766 12.188 -3.663
359 HB3 GLN 48 1HB GLN 48 3.454 13.858 -4.103
360 HG2 GLN 48 2HG GLN 48 5.110 14.108 -2.549
361 HG3 GLN 48 1HG GLN 48 3.671 14.285 -1.544
362 HE21 GLN 48 1HE2 GLN 48 6.312 12.215 -2.426
363 HE22 GLN 48 2HE2 GLN 48 6.193 11.141 -1.078
364 H ALA 49 H ALA 49 1.001 14.515 -4.728
365 HA ALA 49 HA ALA 49 0.652 16.786 -2.942
366 HB1 ALA 49 3HB ALA 49 0.318 18.092 -4.928
367 HB2 ALA 49 1HB ALA 49 0.169 16.637 -5.913
368 HB3 ALA 49 2HB ALA 49 1.713 17.045 -5.171
369 H LEU 50 H LEU 50 -1.191 14.187 -3.554
370 HA LEU 50 HA LEU 50 -3.699 15.736 -3.446
371 HB2 LEU 50 2HB LEU 50 -2.893 13.595 -5.226
372 HB3 LEU 50 1HB LEU 50 -4.350 13.176 -4.352
373 HG LEU 50 HG LEU 50 -4.885 14.167 -6.510
374 HD11 LEU 50 1HD1 LEU 50 -6.411 15.908 -5.757
375 HD12 LEU 50 2HD1 LEU 50 -5.558 16.000 -4.217
376 HD13 LEU 50 3HD1 LEU 50 -6.420 14.529 -4.660
377 HD21 LEU 50 3HD2 LEU 50 -4.352 16.500 -6.995
378 HD22 LEU 50 1HD2 LEU 50 -2.891 15.539 -6.794
379 HD23 LEU 50 2HD2 LEU 50 -3.427 16.606 -5.499
380 H GLU 51 H GLU 51 -1.757 14.302 -1.462
381 HA GLU 51 HA GLU 51 -3.871 12.857 -0.010
382 HB2 GLU 51 2HB GLU 51 -1.256 11.989 -0.749
383 HB3 GLU 51 1HB GLU 51 -1.297 12.163 1.000
384 HG2 GLU 51 2HG GLU 51 -3.426 10.787 0.945
385 HG3 GLU 51 1HG GLU 51 -3.021 10.421 -0.731
Start of MODEL 19
1 H1 GLU 1 1HT GLU 1 -14.597 -3.186 1.823
2 H2 GLU 1 2HT GLU 1 -15.117 -1.795 2.625
3 H3 GLU 1 3HT GLU 1 -15.338 -3.311 3.337
4 HA GLU 1 HA GLU 1 -12.778 -1.927 2.830
5 HB2 GLU 1 2HB GLU 1 -14.252 -2.682 5.355
6 HB3 GLU 1 1HB GLU 1 -12.564 -2.201 5.339
7 HG2 GLU 1 2HG GLU 1 -13.371 -0.157 5.720
8 HG3 GLU 1 1HG GLU 1 -13.693 -0.149 3.988
9 H GLN 2 H GLN 2 -11.026 -3.092 4.133
10 HA GLN 2 HA GLN 2 -11.201 -5.933 4.362
11 HB2 GLN 2 2HB GLN 2 -9.461 -6.424 2.671
12 HB3 GLN 2 1HB GLN 2 -10.938 -5.809 1.946
13 HG2 GLN 2 2HG GLN 2 -9.882 -3.576 1.810
14 HG3 GLN 2 1HG GLN 2 -8.389 -4.289 2.424
15 HE21 GLN 2 1HE2 GLN 2 -10.463 -3.893 -0.286
16 HE22 GLN 2 2HE2 GLN 2 -9.443 -4.663 -1.451
17 H VAL 3 H VAL 3 -8.591 -6.640 4.520
18 HA VAL 3 HA VAL 3 -7.753 -5.528 6.920
19 HB VAL 3 HB VAL 3 -5.475 -6.521 6.371
20 HG11 VAL 3 1HG1 VAL 3 -6.268 -8.785 6.704
21 HG12 VAL 3 2HG1 VAL 3 -7.890 -8.313 6.200
22 HG13 VAL 3 3HG1 VAL 3 -7.203 -7.655 7.684
23 HG21 VAL 3 3HG2 VAL 3 -6.993 -7.426 3.928
24 HG22 VAL 3 1HG2 VAL 3 -5.484 -8.144 4.486
25 HG23 VAL 3 2HG2 VAL 3 -5.520 -6.458 3.973
26 H VAL 4 H VAL 4 -6.768 -4.604 3.636
27 HA VAL 4 HA VAL 4 -4.771 -2.782 4.593
28 HB VAL 4 HB VAL 4 -4.405 -2.122 2.349
29 HG11 VAL 4 1HG1 VAL 4 -4.153 -4.287 1.175
30 HG12 VAL 4 2HG1 VAL 4 -5.123 -5.046 2.437
31 HG13 VAL 4 3HG1 VAL 4 -3.566 -4.320 2.838
32 HG21 VAL 4 3HG2 VAL 4 -6.879 -3.563 1.434
33 HG22 VAL 4 1HG2 VAL 4 -5.848 -2.466 0.517
34 HG23 VAL 4 2HG2 VAL 4 -6.866 -1.842 1.819
35 H ALA 5 H ALA 5 -8.162 -2.618 4.100
36 HA ALA 5 HA ALA 5 -8.219 0.268 3.849
37 HB1 ALA 5 3HB ALA 5 -10.627 -1.441 4.326
38 HB2 ALA 5 1HB ALA 5 -9.850 -1.381 2.744
39 HB3 ALA 5 2HB ALA 5 -10.504 0.090 3.463
40 H ILE 6 H ILE 6 -8.850 -2.180 6.309
41 HA ILE 6 HA ILE 6 -9.958 -0.401 8.218
42 HB ILE 6 HB ILE 6 -8.520 -3.021 8.689
43 HG12 ILE 6 2HG1 ILE 6 -11.495 -2.479 8.556
44 HG13 ILE 6 1HG1 ILE 6 -10.552 -3.097 7.202
45 HG21 ILE 6 1HG2 ILE 6 -8.618 -1.660 10.711
46 HG22 ILE 6 2HG2 ILE 6 -9.681 -3.060 10.844
47 HG23 ILE 6 3HG2 ILE 6 -10.357 -1.467 10.510
48 HD11 ILE 6 3HD1 ILE 6 -9.953 -5.061 8.543
49 HD12 ILE 6 1HD1 ILE 6 -11.694 -4.897 8.320
50 HD13 ILE 6 2HD1 ILE 6 -10.956 -4.448 9.859
51 H ALA 7 H ALA 7 -6.678 -1.580 7.606
52 HA ALA 7 HA ALA 7 -5.432 -0.300 9.782
53 HB1 ALA 7 3HB ALA 7 -3.339 -0.690 8.569
54 HB2 ALA 7 1HB ALA 7 -4.258 -1.106 7.123
55 HB3 ALA 7 2HB ALA 7 -4.370 -2.119 8.561
56 H SER 8 H SER 8 -6.093 0.767 6.470
57 HA SER 8 HA SER 8 -4.640 3.215 6.777
58 HB2 SER 8 2HB SER 8 -5.904 3.816 4.617
59 HB3 SER 8 1HB SER 8 -4.764 2.471 4.556
60 HG SER 8 HG SER 8 -6.356 1.115 4.248
61 H ASN 9 H ASN 9 -7.884 2.160 7.415
62 HA ASN 9 HA ASN 9 -9.133 4.702 7.463
63 HB2 ASN 9 2HB ASN 9 -10.306 2.464 7.411
64 HB3 ASN 9 1HB ASN 9 -9.900 2.284 9.112
65 HD21 ASN 9 1HD2 ASN 9 -11.837 3.997 6.792
66 HD22 ASN 9 2HD2 ASN 9 -12.926 4.708 7.934
67 H ILE 10 H ILE 10 -7.058 3.034 9.637
68 HA ILE 10 HA ILE 10 -7.650 4.821 11.864
69 HB ILE 10 HB ILE 10 -5.592 2.609 11.715
70 HG12 ILE 10 2HG1 ILE 10 -7.857 1.715 11.350
71 HG13 ILE 10 1HG1 ILE 10 -7.205 1.201 12.902
72 HG21 ILE 10 1HG2 ILE 10 -6.778 4.094 14.054
73 HG22 ILE 10 2HG2 ILE 10 -5.116 4.183 13.474
74 HG23 ILE 10 3HG2 ILE 10 -5.723 2.687 14.181
75 HD11 ILE 10 3HD1 ILE 10 -9.530 1.783 13.127
76 HD12 ILE 10 1HD1 ILE 10 -9.226 3.384 12.445
77 HD13 ILE 10 2HD1 ILE 10 -8.537 2.943 14.009
78 H GLY 11 H GLY 11 -5.088 4.091 9.555
79 HA2 GLY 11 2HA GLY 11 -3.211 5.928 10.714
80 HA3 GLY 11 1HA GLY 11 -3.039 5.086 9.184
81 H GLY 12 H GLY 12 -5.277 5.995 7.825
82 HA2 GLY 12 2HA GLY 12 -6.320 8.017 7.101
83 HA3 GLY 12 1HA GLY 12 -4.997 8.918 7.824
84 H LYS 13 H LYS 13 -3.386 6.532 6.399
85 HA LYS 13 HA LYS 13 -3.258 7.928 3.801
86 HB2 LYS 13 2HB LYS 13 -0.934 6.618 5.226
87 HB3 LYS 13 1HB LYS 13 -0.874 7.579 3.753
88 HG2 LYS 13 2HG LYS 13 -1.311 9.577 4.905
89 HG3 LYS 13 1HG LYS 13 -1.835 8.720 6.354
90 HD2 LYS 13 2HD LYS 13 0.973 8.773 5.252
91 HD3 LYS 13 1HD LYS 13 0.395 9.701 6.636
92 HE2 LYS 13 2HE LYS 13 0.801 6.737 6.384
93 HE3 LYS 13 1HE LYS 13 1.479 7.848 7.570
94 HZ1 LYS 13 3HZ LYS 13 -1.138 6.553 7.516
95 HZ2 LYS 13 1HZ LYS 13 -1.086 8.145 8.107
96 HZ3 LYS 13 2HZ LYS 13 -0.142 6.949 8.827
97 H GLN 14 H GLN 14 -4.535 6.515 2.689
98 HA GLN 14 HA GLN 14 -4.500 3.718 2.905
99 HB2 GLN 14 2HB GLN 14 -5.238 5.286 0.438
100 HB3 GLN 14 1HB GLN 14 -5.804 3.684 0.892
101 HG2 GLN 14 2HG GLN 14 -7.609 4.848 1.559
102 HG3 GLN 14 1HG GLN 14 -6.649 5.054 3.023
103 HE21 GLN 14 1HE2 GLN 14 -8.756 6.737 1.901
104 HE22 GLN 14 2HE2 GLN 14 -8.047 8.301 1.680
105 H ALA 15 H ALA 15 -2.598 5.912 0.931
106 HA ALA 15 HA ALA 15 -1.490 3.798 -0.680
107 HB1 ALA 15 3HB ALA 15 -1.875 6.186 -1.421
108 HB2 ALA 15 1HB ALA 15 -0.320 5.469 -1.837
109 HB3 ALA 15 2HB ALA 15 -0.437 6.599 -0.491
110 H LEU 16 H LEU 16 -0.946 4.523 2.456
111 HA LEU 16 HA LEU 16 1.867 3.684 2.258
112 HB2 LEU 16 2HB LEU 16 0.670 5.904 3.760
113 HB3 LEU 16 1HB LEU 16 1.781 4.911 4.687
114 HG LEU 16 HG LEU 16 2.401 6.380 2.125
115 HD11 LEU 16 1HD1 LEU 16 3.260 6.812 4.979
116 HD12 LEU 16 2HD1 LEU 16 2.288 7.890 3.980
117 HD13 LEU 16 3HD1 LEU 16 3.984 7.618 3.588
118 HD21 LEU 16 3HD2 LEU 16 4.765 5.651 2.668
119 HD22 LEU 16 1HD2 LEU 16 3.689 4.401 2.046
120 HD23 LEU 16 2HD2 LEU 16 4.049 4.477 3.772
121 H GLU 17 H GLU 17 -1.078 3.587 4.238
122 HA GLU 17 HA GLU 17 -0.069 1.686 6.079
123 HB2 GLU 17 2HB GLU 17 -2.721 2.817 5.404
124 HB3 GLU 17 1HB GLU 17 -2.723 1.259 6.220
125 HG2 GLU 17 2HG GLU 17 -2.910 2.967 7.868
126 HG3 GLU 17 1HG GLU 17 -1.307 2.251 7.998
127 H THR 18 H THR 18 -1.567 1.439 2.943
128 HA THR 18 HA THR 18 -2.150 -1.338 3.030
129 HB THR 18 HB THR 18 -1.722 0.468 0.642
130 HG1 THR 18 HG1 THR 18 -3.549 1.270 1.336
131 HG21 THR 18 3HG2 THR 18 -3.041 -2.244 0.856
132 HG22 THR 18 1HG2 THR 18 -1.564 -1.856 -0.026
133 HG23 THR 18 2HG2 THR 18 -3.111 -1.198 -0.563
134 H VAL 19 H VAL 19 0.668 0.537 2.045
135 HA VAL 19 HA VAL 19 2.019 -1.570 0.723
136 HB VAL 19 HB VAL 19 2.499 0.998 0.675
137 HG11 VAL 19 1HG1 VAL 19 4.417 1.671 2.041
138 HG12 VAL 19 2HG1 VAL 19 4.348 0.129 2.893
139 HG13 VAL 19 3HG1 VAL 19 3.016 1.276 3.038
140 HG21 VAL 19 3HG2 VAL 19 4.474 -1.233 0.476
141 HG22 VAL 19 1HG2 VAL 19 4.967 0.432 0.169
142 HG23 VAL 19 2HG2 VAL 19 3.697 -0.307 -0.807
143 H GLN 20 H GLN 20 1.582 -0.813 4.054
144 HA GLN 20 HA GLN 20 3.772 -2.574 4.862
145 HB2 GLN 20 2HB GLN 20 1.941 -0.745 6.408
146 HB3 GLN 20 1HB GLN 20 3.043 -1.871 7.193
147 HG2 GLN 20 2HG GLN 20 3.925 0.226 5.233
148 HG3 GLN 20 1HG GLN 20 3.890 0.467 6.979
149 HE21 GLN 20 1HE2 GLN 20 5.411 -1.250 4.348
150 HE22 GLN 20 2HE2 GLN 20 6.806 -1.761 5.230
151 H ARG 21 H ARG 21 0.450 -2.697 4.248
152 HA ARG 21 HA ARG 21 -0.002 -4.932 6.063
153 HB2 ARG 21 2HB ARG 21 -1.739 -3.211 5.884
154 HB3 ARG 21 1HB ARG 21 -1.891 -3.535 4.165
155 HG2 ARG 21 2HG ARG 21 -3.705 -4.569 5.392
156 HG3 ARG 21 1HG ARG 21 -2.680 -5.802 4.664
157 HD2 ARG 21 2HD ARG 21 -2.183 -4.928 7.479
158 HD3 ARG 21 1HD ARG 21 -3.492 -6.058 7.133
159 HE ARG 21 HE ARG 21 -1.085 -6.921 5.902
160 HH11 ARG 21 1HH1 ARG 21 -2.679 -6.738 9.010
161 HH12 ARG 21 2HH1 ARG 21 -1.769 -8.047 9.696
162 HH21 ARG 21 1HH2 ARG 21 0.084 -8.679 6.797
163 HH22 ARG 21 2HH2 ARG 21 -0.214 -9.163 8.434
164 H LEU 22 H LEU 22 0.231 -4.246 2.607
165 HA LEU 22 HA LEU 22 -0.347 -7.014 1.948
166 HB2 LEU 22 2HB LEU 22 0.152 -4.533 0.357
167 HB3 LEU 22 1HB LEU 22 0.293 -6.100 -0.417
168 HG LEU 22 HG LEU 22 -2.182 -5.022 0.938
169 HD11 LEU 22 1HD1 LEU 22 -1.578 -5.480 -1.979
170 HD12 LEU 22 2HD1 LEU 22 -1.660 -3.910 -1.180
171 HD13 LEU 22 3HD1 LEU 22 -3.105 -4.913 -1.307
172 HD21 LEU 22 3HD2 LEU 22 -1.610 -7.639 -0.434
173 HD22 LEU 22 1HD2 LEU 22 -3.241 -7.020 -0.180
174 HD23 LEU 22 2HD2 LEU 22 -2.208 -7.376 1.204
175 H LEU 23 H LEU 23 2.419 -5.088 2.575
176 HA LEU 23 HA LEU 23 4.360 -6.264 0.996
177 HB2 LEU 23 2HB LEU 23 4.488 -4.302 2.729
178 HB3 LEU 23 1HB LEU 23 5.007 -5.567 3.825
179 HG LEU 23 HG LEU 23 6.826 -6.130 2.186
180 HD11 LEU 23 1HD1 LEU 23 7.430 -4.327 0.584
181 HD12 LEU 23 2HD1 LEU 23 5.871 -3.572 0.912
182 HD13 LEU 23 3HD1 LEU 23 5.936 -5.171 0.177
183 HD21 LEU 23 3HD2 LEU 23 6.813 -3.352 3.360
184 HD22 LEU 23 1HD2 LEU 23 8.245 -4.241 2.837
185 HD23 LEU 23 2HD2 LEU 23 7.282 -4.839 4.189
186 HA PRO 24 HA PRO 24 5.190 -9.632 4.411
187 HB2 PRO 24 2HB PRO 24 3.136 -10.134 6.143
188 HB3 PRO 24 1HB PRO 24 4.478 -9.044 6.506
189 HG2 PRO 24 2HG PRO 24 1.726 -8.398 5.517
190 HG3 PRO 24 1HG PRO 24 2.675 -7.597 6.787
191 HD2 PRO 24 2HD PRO 24 2.484 -6.562 4.323
192 HD3 PRO 24 1HD PRO 24 3.990 -6.457 5.257
193 H VAL 25 H VAL 25 2.328 -9.063 2.668
194 HA VAL 25 HA VAL 25 1.521 -11.858 2.625
195 HB VAL 25 HB VAL 25 0.341 -9.478 1.173
196 HG11 VAL 25 1HG1 VAL 25 -0.144 -11.572 0.025
197 HG12 VAL 25 2HG1 VAL 25 -1.599 -10.940 0.796
198 HG13 VAL 25 3HG1 VAL 25 -0.721 -12.283 1.533
199 HG21 VAL 25 3HG2 VAL 25 0.131 -9.274 3.595
200 HG22 VAL 25 1HG2 VAL 25 -0.576 -10.887 3.679
201 HG23 VAL 25 2HG2 VAL 25 -1.439 -9.587 2.855
202 H LEU 26 H LEU 26 2.561 -9.349 0.318
203 HA LEU 26 HA LEU 26 2.775 -11.206 -1.844
204 HB2 LEU 26 2HB LEU 26 3.227 -8.327 -1.445
205 HB3 LEU 26 1HB LEU 26 4.211 -9.073 -2.692
206 HG LEU 26 HG LEU 26 2.184 -8.107 -3.641
207 HD11 LEU 26 1HD1 LEU 26 1.480 -9.962 -4.954
208 HD12 LEU 26 2HD1 LEU 26 1.967 -11.109 -3.708
209 HD13 LEU 26 3HD1 LEU 26 3.190 -10.194 -4.589
210 HD21 LEU 26 3HD2 LEU 26 0.674 -8.211 -1.789
211 HD22 LEU 26 1HD2 LEU 26 0.749 -9.974 -1.763
212 HD23 LEU 26 2HD2 LEU 26 -0.019 -9.144 -3.114
213 H CYS 27 H CYS 27 4.955 -10.144 0.639
214 HA CYS 27 HA CYS 27 7.355 -10.836 -0.737
215 HB2 CYS 27 2HB CYS 27 8.461 -10.645 1.407
216 HB3 CYS 27 1HB CYS 27 7.306 -9.331 1.241
217 HG CYS 27 HG CYS 27 7.015 -12.110 3.218
218 H GLN 28 H GLN 28 5.045 -12.595 1.183
219 HA GLN 28 HA GLN 28 6.739 -14.972 1.184
220 HB2 GLN 28 2HB GLN 28 4.801 -13.916 2.961
221 HB3 GLN 28 1HB GLN 28 4.178 -15.447 2.360
222 HG2 GLN 28 2HG GLN 28 5.453 -15.707 4.428
223 HG3 GLN 28 1HG GLN 28 6.169 -16.595 3.083
224 HE21 GLN 28 1HE2 GLN 28 8.200 -16.662 3.941
225 HE22 GLN 28 2HE2 GLN 28 9.209 -15.267 4.105
226 H ALA 29 H ALA 29 4.208 -13.605 -0.625
227 HA ALA 29 HA ALA 29 3.358 -16.217 -1.645
228 HB1 ALA 29 3HB ALA 29 1.507 -15.042 -2.689
229 HB2 ALA 29 1HB ALA 29 2.182 -13.495 -2.180
230 HB3 ALA 29 2HB ALA 29 1.598 -14.640 -0.975
231 H HIS 30 H HIS 30 5.523 -13.763 -2.366
232 HA HIS 30 HA HIS 30 6.041 -14.890 -4.983
233 HB2 HIS 30 2HB HIS 30 4.776 -12.263 -4.630
234 HB3 HIS 30 1HB HIS 30 6.223 -12.226 -5.629
235 HD1 HIS 30 HD1 HIS 30 6.160 -13.774 -7.807
236 HD2 HIS 30 HD2 HIS 30 2.528 -13.248 -5.855
237 HE1 HIS 30 HE1 HIS 30 4.400 -14.484 -9.451
238 HE2 HIS 30 HE2 HIS 30 2.223 -14.286 -8.201
239 H GLY 31 H GLY 31 6.863 -12.012 -3.033
240 HA2 GLY 31 2HA GLY 31 8.973 -11.928 -1.840
241 HA3 GLY 31 1HA GLY 31 9.674 -12.916 -3.112
242 H LEU 32 H LEU 32 8.044 -11.089 -5.022
243 HA LEU 32 HA LEU 32 10.216 -9.299 -5.559
244 HB2 LEU 32 2HB LEU 32 7.494 -9.539 -6.842
245 HB3 LEU 32 1HB LEU 32 8.792 -8.523 -7.439
246 HG LEU 32 HG LEU 32 8.772 -11.540 -7.311
247 HD11 LEU 32 1HD1 LEU 32 7.465 -10.561 -9.127
248 HD12 LEU 32 2HD1 LEU 32 8.897 -11.392 -9.730
249 HD13 LEU 32 3HD1 LEU 32 8.872 -9.632 -9.640
250 HD21 LEU 32 3HD2 LEU 32 10.976 -9.646 -8.114
251 HD22 LEU 32 1HD2 LEU 32 10.966 -11.372 -8.461
252 HD23 LEU 32 2HD2 LEU 32 11.000 -10.812 -6.793
253 H THR 33 H THR 33 7.209 -9.090 -3.901
254 HA THR 33 HA THR 33 6.025 -7.424 -2.924
255 HB THR 33 HB THR 33 7.465 -5.663 -1.759
256 HG1 THR 33 HG1 THR 33 9.282 -6.446 -3.418
257 HG21 THR 33 3HG2 THR 33 6.657 -7.649 -0.621
258 HG22 THR 33 1HG2 THR 33 8.308 -7.287 -0.115
259 HG23 THR 33 2HG2 THR 33 8.003 -8.588 -1.266
260 HA PRO 34 HA PRO 34 6.206 -4.604 -6.622
261 HB2 PRO 34 2HB PRO 34 3.566 -4.809 -7.227
262 HB3 PRO 34 1HB PRO 34 4.782 -5.944 -7.827
263 HG2 PRO 34 2HG PRO 34 2.891 -6.237 -5.521
264 HG3 PRO 34 1HG PRO 34 3.335 -7.421 -6.765
265 HD2 PRO 34 2HD PRO 34 4.408 -7.447 -4.281
266 HD3 PRO 34 1HD PRO 34 5.314 -7.967 -5.716
267 H GLU 35 H GLU 35 4.672 -4.696 -3.606
268 HA GLU 35 HA GLU 35 2.969 -2.505 -3.605
269 HB2 GLU 35 2HB GLU 35 4.757 -3.613 -1.446
270 HB3 GLU 35 1HB GLU 35 3.605 -2.322 -1.153
271 HG2 GLU 35 2HG GLU 35 2.714 -4.469 -0.468
272 HG3 GLU 35 1HG GLU 35 1.778 -3.789 -1.797
273 H GLN 36 H GLN 36 6.463 -2.593 -2.989
274 HA GLN 36 HA GLN 36 6.612 0.265 -2.684
275 HB2 GLN 36 2HB GLN 36 8.597 -1.975 -2.688
276 HB3 GLN 36 1HB GLN 36 9.162 -0.320 -2.867
277 HG2 GLN 36 2HG GLN 36 7.275 -0.683 -0.671
278 HG3 GLN 36 1HG GLN 36 8.758 -1.621 -0.503
279 HE21 GLN 36 1HE2 GLN 36 9.439 -0.372 1.240
280 HE22 GLN 36 2HE2 GLN 36 10.038 1.236 1.041
281 H VAL 37 H VAL 37 6.270 -1.686 -5.328
282 HA VAL 37 HA VAL 37 7.946 -0.024 -7.055
283 HB VAL 37 HB VAL 37 6.407 -2.473 -7.899
284 HG11 VAL 37 1HG1 VAL 37 8.842 -1.138 -9.077
285 HG12 VAL 37 2HG1 VAL 37 7.192 -0.953 -9.676
286 HG13 VAL 37 3HG1 VAL 37 7.982 -2.528 -9.734
287 HG21 VAL 37 3HG2 VAL 37 7.914 -3.061 -6.052
288 HG22 VAL 37 1HG2 VAL 37 9.258 -2.328 -6.923
289 HG23 VAL 37 2HG2 VAL 37 8.457 -3.752 -7.580
290 H VAL 38 H VAL 38 4.542 -0.982 -6.622
291 HA VAL 38 HA VAL 38 3.843 0.996 -8.681
292 HB VAL 38 HB VAL 38 2.945 -1.202 -9.156
293 HG11 VAL 38 1HG1 VAL 38 2.816 -2.109 -6.900
294 HG12 VAL 38 2HG1 VAL 38 1.271 -2.269 -7.739
295 HG13 VAL 38 3HG1 VAL 38 1.488 -1.008 -6.526
296 HG21 VAL 38 3HG2 VAL 38 0.548 -0.619 -9.355
297 HG22 VAL 38 1HG2 VAL 38 1.626 0.669 -9.888
298 HG23 VAL 38 2HG2 VAL 38 0.837 0.777 -8.317
299 H ALA 39 H ALA 39 2.796 -0.031 -5.418
300 HA ALA 39 HA ALA 39 0.970 2.094 -5.067
301 HB1 ALA 39 3HB ALA 39 0.878 0.040 -3.740
302 HB2 ALA 39 1HB ALA 39 0.955 1.476 -2.716
303 HB3 ALA 39 2HB ALA 39 2.396 0.484 -2.957
304 H ILE 40 H ILE 40 4.254 1.646 -3.746
305 HA ILE 40 HA ILE 40 4.440 4.175 -2.549
306 HB ILE 40 HB ILE 40 6.527 2.238 -3.507
307 HG12 ILE 40 2HG1 ILE 40 5.241 1.603 -1.529
308 HG13 ILE 40 1HG1 ILE 40 6.907 1.946 -1.089
309 HG21 ILE 40 1HG2 ILE 40 7.526 4.432 -3.738
310 HG22 ILE 40 2HG2 ILE 40 8.228 3.593 -2.354
311 HG23 ILE 40 3HG2 ILE 40 7.026 4.858 -2.100
312 HD11 ILE 40 3HD1 ILE 40 4.484 3.648 -0.600
313 HD12 ILE 40 1HD1 ILE 40 6.134 4.237 -0.395
314 HD13 ILE 40 2HD1 ILE 40 5.548 2.893 0.585
315 H ALA 41 H ALA 41 5.260 3.076 -5.799
316 HA ALA 41 HA ALA 41 6.579 5.367 -6.709
317 HB1 ALA 41 3HB ALA 41 6.615 3.262 -7.927
318 HB2 ALA 41 1HB ALA 41 6.050 4.573 -8.961
319 HB3 ALA 41 2HB ALA 41 4.897 3.425 -8.285
320 H SER 42 H SER 42 3.142 4.478 -6.931
321 HA SER 42 HA SER 42 2.376 6.904 -8.198
322 HB2 SER 42 2HB SER 42 0.575 5.076 -6.604
323 HB3 SER 42 1HB SER 42 0.131 6.135 -7.946
324 HG SER 42 HG SER 42 1.622 3.719 -8.010
325 H HIS 43 H HIS 43 2.662 5.858 -4.873
326 HA HIS 43 HA HIS 43 1.212 7.975 -3.688
327 HB2 HIS 43 2HB HIS 43 1.535 6.173 -2.251
328 HB3 HIS 43 1HB HIS 43 3.220 5.979 -2.704
329 HD1 HIS 43 HD1 HIS 43 1.098 8.523 -0.784
330 HD2 HIS 43 HD2 HIS 43 4.930 6.903 -0.842
331 HE1 HIS 43 HE1 HIS 43 2.290 9.523 1.190
332 HE2 HIS 43 HE2 HIS 43 4.644 8.648 1.039
333 H ASP 44 H ASP 44 4.690 7.515 -4.243
334 HA ASP 44 HA ASP 44 5.324 10.127 -3.232
335 HB2 ASP 44 2HB ASP 44 6.827 8.084 -3.146
336 HB3 ASP 44 1HB ASP 44 7.118 8.337 -4.863
337 H GLY 45 H GLY 45 5.255 8.612 -6.442
338 HA2 GLY 45 2HA GLY 45 5.649 11.248 -7.666
339 HA3 GLY 45 1HA GLY 45 5.804 9.699 -8.482
340 H GLY 46 H GLY 46 3.393 11.738 -6.860
341 HA2 GLY 46 2HA GLY 46 1.625 12.232 -8.770
342 HA3 GLY 46 1HA GLY 46 1.279 10.536 -8.472
343 H LYS 47 H LYS 47 0.913 9.995 -6.088
344 HA LYS 47 HA LYS 47 -1.308 11.468 -5.194
345 HB2 LYS 47 2HB LYS 47 -0.642 9.013 -4.696
346 HB3 LYS 47 1HB LYS 47 0.289 9.700 -3.372
347 HG2 LYS 47 2HG LYS 47 -1.800 9.010 -2.487
348 HG3 LYS 47 1HG LYS 47 -1.818 10.773 -2.553
349 HD2 LYS 47 2HD LYS 47 -3.131 10.711 -4.596
350 HD3 LYS 47 1HD LYS 47 -3.047 8.949 -4.621
351 HE2 LYS 47 2HE LYS 47 -5.076 9.172 -3.647
352 HE3 LYS 47 1HE LYS 47 -4.085 9.263 -2.195
353 HZ1 LYS 47 3HZ LYS 47 -4.279 11.612 -2.161
354 HZ2 LYS 47 1HZ LYS 47 -5.839 10.997 -2.405
355 HZ3 LYS 47 2HZ LYS 47 -4.984 11.650 -3.705
356 H GLN 48 H GLN 48 2.050 11.905 -4.686
357 HA GLN 48 HA GLN 48 2.103 13.222 -2.236
358 HB2 GLN 48 2HB GLN 48 4.132 12.527 -3.423
359 HB3 GLN 48 1HB GLN 48 3.818 13.717 -4.680
360 HG2 GLN 48 2HG GLN 48 3.986 14.770 -1.934
361 HG3 GLN 48 1HG GLN 48 5.476 14.109 -2.601
362 HE21 GLN 48 1HE2 GLN 48 4.580 16.882 -1.953
363 HE22 GLN 48 2HE2 GLN 48 4.857 17.788 -3.399
364 H ALA 49 H ALA 49 1.273 14.396 -5.439
365 HA ALA 49 HA ALA 49 1.006 17.138 -4.509
366 HB1 ALA 49 3HB ALA 49 0.462 17.662 -6.823
367 HB2 ALA 49 1HB ALA 49 0.414 15.944 -7.218
368 HB3 ALA 49 2HB ALA 49 1.937 16.698 -6.738
369 H LEU 50 H LEU 50 -0.912 14.348 -4.795
370 HA LEU 50 HA LEU 50 -3.429 15.781 -5.028
371 HB2 LEU 50 2HB LEU 50 -2.579 12.940 -5.064
372 HB3 LEU 50 1HB LEU 50 -4.195 13.270 -4.485
373 HG LEU 50 HG LEU 50 -4.336 12.715 -6.800
374 HD11 LEU 50 1HD1 LEU 50 -5.462 14.604 -7.690
375 HD12 LEU 50 2HD1 LEU 50 -4.564 15.708 -6.654
376 HD13 LEU 50 3HD1 LEU 50 -5.736 14.597 -5.951
377 HD21 LEU 50 3HD2 LEU 50 -3.153 14.035 -8.524
378 HD22 LEU 50 1HD2 LEU 50 -2.067 13.110 -7.488
379 HD23 LEU 50 2HD2 LEU 50 -2.253 14.845 -7.244
380 H GLU 51 H GLU 51 -1.522 14.089 -2.641
381 HA GLU 51 HA GLU 51 -1.623 13.914 -0.396
382 HB2 GLU 51 2HB GLU 51 -3.256 16.431 -0.733
383 HB3 GLU 51 1HB GLU 51 -2.813 15.776 0.839
384 HG2 GLU 51 2HG GLU 51 -0.411 15.892 0.057
385 HG3 GLU 51 1HG GLU 51 -1.002 16.854 -1.298
Start of MODEL 20
1 H1 GLU 1 1HT GLU 1 -15.248 -4.597 2.641
2 H2 GLU 1 2HT GLU 1 -14.128 -3.435 2.148
3 H3 GLU 1 3HT GLU 1 -15.574 -2.955 2.878
4 HA GLU 1 HA GLU 1 -13.733 -2.776 4.414
5 HB2 GLU 1 2HB GLU 1 -16.088 -3.475 5.118
6 HB3 GLU 1 1HB GLU 1 -15.461 -5.114 5.218
7 HG2 GLU 1 2HG GLU 1 -13.692 -4.133 6.789
8 HG3 GLU 1 1HG GLU 1 -14.755 -2.730 6.888
9 H GLN 2 H GLN 2 -11.744 -3.476 4.901
10 HA GLN 2 HA GLN 2 -11.086 -6.258 5.055
11 HB2 GLN 2 2HB GLN 2 -11.099 -5.539 2.532
12 HB3 GLN 2 1HB GLN 2 -9.565 -4.785 2.935
13 HG2 GLN 2 2HG GLN 2 -8.482 -6.747 3.085
14 HG3 GLN 2 1HG GLN 2 -9.863 -7.578 3.799
15 HE21 GLN 2 1HE2 GLN 2 -10.156 -5.753 0.869
16 HE22 GLN 2 2HE2 GLN 2 -10.361 -7.098 -0.194
17 H VAL 3 H VAL 3 -8.777 -6.566 5.646
18 HA VAL 3 HA VAL 3 -7.975 -4.888 7.692
19 HB VAL 3 HB VAL 3 -5.651 -5.973 7.322
20 HG11 VAL 3 1HG1 VAL 3 -6.486 -8.125 8.244
21 HG12 VAL 3 2HG1 VAL 3 -8.129 -7.591 7.896
22 HG13 VAL 3 3HG1 VAL 3 -7.139 -6.705 9.055
23 HG21 VAL 3 3HG2 VAL 3 -7.293 -7.699 5.467
24 HG22 VAL 3 1HG2 VAL 3 -5.608 -7.943 5.931
25 HG23 VAL 3 2HG2 VAL 3 -6.060 -6.551 4.945
26 H VAL 4 H VAL 4 -6.990 -4.827 4.297
27 HA VAL 4 HA VAL 4 -4.922 -2.924 4.576
28 HB VAL 4 HB VAL 4 -5.279 -2.507 2.114
29 HG11 VAL 4 1HG1 VAL 4 -3.697 -4.173 2.909
30 HG12 VAL 4 2HG1 VAL 4 -4.489 -4.727 1.434
31 HG13 VAL 4 3HG1 VAL 4 -4.984 -5.373 2.997
32 HG21 VAL 4 3HG2 VAL 4 -7.358 -4.675 2.407
33 HG22 VAL 4 1HG2 VAL 4 -6.781 -3.988 0.889
34 HG23 VAL 4 2HG2 VAL 4 -7.682 -2.985 2.026
35 H ALA 5 H ALA 5 -8.384 -2.637 4.238
36 HA ALA 5 HA ALA 5 -8.286 0.206 3.722
37 HB1 ALA 5 3HB ALA 5 -10.606 -1.650 4.232
38 HB2 ALA 5 1HB ALA 5 -10.033 -1.075 2.665
39 HB3 ALA 5 2HB ALA 5 -10.750 0.058 3.812
40 H ILE 6 H ILE 6 -9.178 -1.945 6.394
41 HA ILE 6 HA ILE 6 -10.081 -0.004 8.191
42 HB ILE 6 HB ILE 6 -8.670 -2.607 8.829
43 HG12 ILE 6 2HG1 ILE 6 -11.632 -1.986 8.720
44 HG13 ILE 6 1HG1 ILE 6 -10.741 -2.803 7.439
45 HG21 ILE 6 1HG2 ILE 6 -8.647 -1.125 10.746
46 HG22 ILE 6 2HG2 ILE 6 -9.801 -2.432 11.012
47 HG23 ILE 6 3HG2 ILE 6 -10.376 -0.827 10.566
48 HD11 ILE 6 3HD1 ILE 6 -11.117 -3.803 10.251
49 HD12 ILE 6 1HD1 ILE 6 -10.209 -4.623 8.983
50 HD13 ILE 6 2HD1 ILE 6 -11.948 -4.389 8.812
51 H ALA 7 H ALA 7 -6.829 -1.398 7.815
52 HA ALA 7 HA ALA 7 -5.569 0.129 9.798
53 HB1 ALA 7 3HB ALA 7 -3.478 -0.502 8.731
54 HB2 ALA 7 1HB ALA 7 -4.344 -0.984 7.273
55 HB3 ALA 7 2HB ALA 7 -4.579 -1.879 8.774
56 H SER 8 H SER 8 -6.062 0.738 6.352
57 HA SER 8 HA SER 8 -4.534 3.110 6.229
58 HB2 SER 8 2HB SER 8 -6.776 2.104 4.472
59 HB3 SER 8 1HB SER 8 -5.776 3.508 4.101
60 HG SER 8 HG SER 8 -5.142 0.791 4.053
61 H ASN 9 H ASN 9 -7.941 2.486 6.903
62 HA ASN 9 HA ASN 9 -8.823 5.163 6.797
63 HB2 ASN 9 2HB ASN 9 -10.247 3.047 6.840
64 HB3 ASN 9 1HB ASN 9 -9.993 3.032 8.583
65 HD21 ASN 9 1HD2 ASN 9 -11.557 4.590 5.928
66 HD22 ASN 9 2HD2 ASN 9 -12.599 5.603 6.866
67 H ILE 10 H ILE 10 -7.633 3.167 9.468
68 HA ILE 10 HA ILE 10 -7.964 5.277 11.395
69 HB ILE 10 HB ILE 10 -6.319 2.760 11.701
70 HG12 ILE 10 2HG1 ILE 10 -8.582 2.140 11.082
71 HG13 ILE 10 1HG1 ILE 10 -8.331 1.806 12.791
72 HG21 ILE 10 1HG2 ILE 10 -7.561 4.616 13.723
73 HG22 ILE 10 2HG2 ILE 10 -5.843 4.429 13.380
74 HG23 ILE 10 3HG2 ILE 10 -6.747 3.097 14.099
75 HD11 ILE 10 3HD1 ILE 10 -10.523 2.755 12.421
76 HD12 ILE 10 1HD1 ILE 10 -9.809 4.163 11.634
77 HD13 ILE 10 2HD1 ILE 10 -9.530 3.877 13.351
78 H GLY 11 H GLY 11 -5.335 4.015 9.425
79 HA2 GLY 11 2HA GLY 11 -3.257 5.481 10.710
80 HA3 GLY 11 1HA GLY 11 -3.171 4.728 9.125
81 H GLY 12 H GLY 12 -5.006 6.015 7.651
82 HA2 GLY 12 2HA GLY 12 -5.754 8.229 7.055
83 HA3 GLY 12 1HA GLY 12 -4.385 8.884 7.941
84 H LYS 13 H LYS 13 -3.078 6.354 6.417
85 HA LYS 13 HA LYS 13 -2.583 7.828 3.912
86 HB2 LYS 13 2HB LYS 13 -0.500 6.327 5.510
87 HB3 LYS 13 1HB LYS 13 -0.231 7.228 4.024
88 HG2 LYS 13 2HG LYS 13 -0.060 9.174 5.102
89 HG3 LYS 13 1HG LYS 13 -1.431 8.822 6.155
90 HD2 LYS 13 2HD LYS 13 1.228 7.477 6.537
91 HD3 LYS 13 1HD LYS 13 0.883 9.057 7.240
92 HE2 LYS 13 2HE LYS 13 -0.339 8.153 8.876
93 HE3 LYS 13 1HE LYS 13 -1.258 7.173 7.736
94 HZ1 LYS 13 3HZ LYS 13 0.235 6.050 9.522
95 HZ2 LYS 13 1HZ LYS 13 1.477 6.374 8.421
96 HZ3 LYS 13 2HZ LYS 13 0.166 5.410 7.953
97 H GLN 14 H GLN 14 -4.030 6.452 2.827
98 HA GLN 14 HA GLN 14 -4.250 3.716 2.966
99 HB2 GLN 14 2HB GLN 14 -4.555 5.506 0.562
100 HB3 GLN 14 1HB GLN 14 -5.057 3.822 0.602
101 HG2 GLN 14 2HG GLN 14 -6.442 4.557 2.668
102 HG3 GLN 14 1HG GLN 14 -6.218 6.177 2.016
103 HE21 GLN 14 1HE2 GLN 14 -8.363 6.470 1.498
104 HE22 GLN 14 2HE2 GLN 14 -9.143 5.608 0.217
105 H ALA 15 H ALA 15 -2.189 5.482 0.650
106 HA ALA 15 HA ALA 15 -1.077 3.213 -0.541
107 HB1 ALA 15 3HB ALA 15 0.114 5.963 -0.285
108 HB2 ALA 15 1HB ALA 15 -0.956 5.396 -1.568
109 HB3 ALA 15 2HB ALA 15 0.658 4.706 -1.397
110 H LEU 16 H LEU 16 -0.218 4.772 2.471
111 HA LEU 16 HA LEU 16 2.332 3.378 2.592
112 HB2 LEU 16 2HB LEU 16 0.977 5.330 4.426
113 HB3 LEU 16 1HB LEU 16 2.440 4.482 4.887
114 HG LEU 16 HG LEU 16 2.155 6.358 2.538
115 HD11 LEU 16 1HD1 LEU 16 3.521 6.669 5.204
116 HD12 LEU 16 2HD1 LEU 16 2.125 7.569 4.612
117 HD13 LEU 16 3HD1 LEU 16 3.697 7.778 3.844
118 HD21 LEU 16 3HD2 LEU 16 4.653 6.133 2.470
119 HD22 LEU 16 1HD2 LEU 16 3.759 4.701 1.963
120 HD23 LEU 16 2HD2 LEU 16 4.489 4.763 3.566
121 H GLU 17 H GLU 17 -0.838 3.244 4.126
122 HA GLU 17 HA GLU 17 -0.056 1.233 6.002
123 HB2 GLU 17 2HB GLU 17 -2.586 2.579 5.236
124 HB3 GLU 17 1HB GLU 17 -2.729 0.997 5.989
125 HG2 GLU 17 2HG GLU 17 -2.885 2.582 7.726
126 HG3 GLU 17 1HG GLU 17 -1.283 1.863 7.850
127 H THR 18 H THR 18 -1.527 1.243 2.808
128 HA THR 18 HA THR 18 -2.231 -1.504 2.775
129 HB THR 18 HB THR 18 -1.662 0.314 0.423
130 HG1 THR 18 HG1 THR 18 -3.369 0.994 1.910
131 HG21 THR 18 3HG2 THR 18 -1.650 -2.011 -0.258
132 HG22 THR 18 1HG2 THR 18 -3.150 -1.258 -0.800
133 HG23 THR 18 2HG2 THR 18 -3.153 -2.308 0.616
134 H VAL 19 H VAL 19 0.674 0.245 1.716
135 HA VAL 19 HA VAL 19 1.907 -1.968 0.467
136 HB VAL 19 HB VAL 19 2.606 0.384 0.068
137 HG11 VAL 19 1HG1 VAL 19 4.115 1.504 1.594
138 HG12 VAL 19 2HG1 VAL 19 3.991 0.163 2.735
139 HG13 VAL 19 3HG1 VAL 19 2.579 1.165 2.396
140 HG21 VAL 19 3HG2 VAL 19 4.052 -1.368 -0.684
141 HG22 VAL 19 1HG2 VAL 19 4.742 -1.559 0.928
142 HG23 VAL 19 2HG2 VAL 19 5.050 -0.092 0.003
143 H GLN 20 H GLN 20 1.904 -0.836 3.802
144 HA GLN 20 HA GLN 20 3.998 -2.576 4.670
145 HB2 GLN 20 2HB GLN 20 1.867 -1.047 6.161
146 HB3 GLN 20 1HB GLN 20 3.065 -2.048 6.971
147 HG2 GLN 20 2HG GLN 20 3.611 0.364 5.257
148 HG3 GLN 20 1HG GLN 20 3.726 0.271 7.013
149 HE21 GLN 20 1HE2 GLN 20 5.363 -1.064 7.925
150 HE22 GLN 20 2HE2 GLN 20 6.827 -1.371 7.053
151 H ARG 21 H ARG 21 0.649 -2.972 4.060
152 HA ARG 21 HA ARG 21 0.457 -5.378 5.694
153 HB2 ARG 21 2HB ARG 21 -1.445 -3.927 5.826
154 HB3 ARG 21 1HB ARG 21 -1.579 -3.844 4.076
155 HG2 ARG 21 2HG ARG 21 -3.308 -5.265 4.925
156 HG3 ARG 21 1HG ARG 21 -2.142 -6.258 4.050
157 HD2 ARG 21 2HD ARG 21 -2.651 -7.443 6.023
158 HD3 ARG 21 1HD ARG 21 -1.064 -6.725 6.289
159 HE ARG 21 HE ARG 21 -2.699 -4.885 7.355
160 HH11 ARG 21 1HH1 ARG 21 -2.529 -8.362 7.742
161 HH12 ARG 21 2HH1 ARG 21 -3.121 -8.335 9.372
162 HH21 ARG 21 1HH2 ARG 21 -3.509 -4.846 9.499
163 HH22 ARG 21 2HH2 ARG 21 -3.686 -6.338 10.368
164 H LEU 22 H LEU 22 0.311 -4.428 2.270
165 HA LEU 22 HA LEU 22 -0.155 -7.134 1.422
166 HB2 LEU 22 2HB LEU 22 0.405 -4.580 -0.043
167 HB3 LEU 22 1HB LEU 22 0.353 -6.121 -0.878
168 HG LEU 22 HG LEU 22 -1.909 -4.801 0.623
169 HD11 LEU 22 1HD1 LEU 22 -2.976 -4.722 -1.559
170 HD12 LEU 22 2HD1 LEU 22 -1.563 -5.480 -2.291
171 HD13 LEU 22 3HD1 LEU 22 -1.435 -3.869 -1.587
172 HD21 LEU 22 3HD2 LEU 22 -3.239 -6.745 -0.304
173 HD22 LEU 22 1HD2 LEU 22 -2.163 -7.114 1.043
174 HD23 LEU 22 2HD2 LEU 22 -1.694 -7.542 -0.602
175 H LEU 23 H LEU 23 2.663 -5.211 2.017
176 HA LEU 23 HA LEU 23 4.509 -6.395 0.330
177 HB2 LEU 23 2HB LEU 23 4.750 -4.451 2.058
178 HB3 LEU 23 1HB LEU 23 5.285 -5.723 3.137
179 HG LEU 23 HG LEU 23 6.636 -5.727 0.530
180 HD11 LEU 23 1HD1 LEU 23 8.068 -3.809 1.077
181 HD12 LEU 23 2HD1 LEU 23 7.016 -3.422 2.437
182 HD13 LEU 23 3HD1 LEU 23 6.396 -3.328 0.789
183 HD21 LEU 23 3HD2 LEU 23 7.585 -5.752 3.394
184 HD22 LEU 23 1HD2 LEU 23 8.601 -6.008 1.976
185 HD23 LEU 23 2HD2 LEU 23 7.325 -7.162 2.366
186 HA PRO 24 HA PRO 24 5.484 -9.821 3.658
187 HB2 PRO 24 2HB PRO 24 3.423 -10.347 5.405
188 HB3 PRO 24 1HB PRO 24 4.829 -9.351 5.797
189 HG2 PRO 24 2HG PRO 24 2.091 -8.508 4.939
190 HG3 PRO 24 1HG PRO 24 3.138 -7.813 6.191
191 HD2 PRO 24 2HD PRO 24 2.897 -6.662 3.787
192 HD3 PRO 24 1HD PRO 24 4.452 -6.689 4.645
193 H VAL 25 H VAL 25 2.133 -9.264 2.696
194 HA VAL 25 HA VAL 25 1.372 -11.955 2.359
195 HB VAL 25 HB VAL 25 0.323 -9.493 0.944
196 HG11 VAL 25 1HG1 VAL 25 -1.691 -10.813 0.518
197 HG12 VAL 25 2HG1 VAL 25 -0.921 -12.225 1.241
198 HG13 VAL 25 3HG1 VAL 25 -0.277 -11.536 -0.249
199 HG21 VAL 25 3HG2 VAL 25 0.131 -9.343 3.369
200 HG22 VAL 25 1HG2 VAL 25 -0.666 -10.916 3.414
201 HG23 VAL 25 2HG2 VAL 25 -1.455 -9.549 2.627
202 H LEU 26 H LEU 26 2.604 -9.551 0.044
203 HA LEU 26 HA LEU 26 2.657 -11.399 -2.133
204 HB2 LEU 26 2HB LEU 26 3.176 -8.601 -1.726
205 HB3 LEU 26 1HB LEU 26 4.474 -9.320 -2.664
206 HG LEU 26 HG LEU 26 2.733 -8.377 -4.104
207 HD11 LEU 26 1HD1 LEU 26 4.035 -10.348 -4.830
208 HD12 LEU 26 2HD1 LEU 26 2.433 -10.260 -5.560
209 HD13 LEU 26 3HD1 LEU 26 2.738 -11.384 -4.237
210 HD21 LEU 26 3HD2 LEU 26 0.826 -8.675 -2.594
211 HD22 LEU 26 1HD2 LEU 26 0.907 -10.418 -2.847
212 HD23 LEU 26 2HD2 LEU 26 0.509 -9.352 -4.193
213 H CYS 27 H CYS 27 4.847 -10.594 0.422
214 HA CYS 27 HA CYS 27 7.226 -11.569 -0.765
215 HB2 CYS 27 2HB CYS 27 6.369 -11.205 2.102
216 HB3 CYS 27 1HB CYS 27 7.945 -11.864 1.680
217 HG CYS 27 HG CYS 27 6.780 -8.742 0.898
218 H GLN 28 H GLN 28 4.701 -13.069 1.197
219 HA GLN 28 HA GLN 28 5.987 -15.637 1.233
220 HB2 GLN 28 2HB GLN 28 4.021 -14.474 2.737
221 HB3 GLN 28 1HB GLN 28 3.083 -15.548 1.709
222 HG2 GLN 28 2HG GLN 28 3.510 -17.087 3.254
223 HG3 GLN 28 1HG GLN 28 5.104 -17.180 2.514
224 HE21 GLN 28 1HE2 GLN 28 6.179 -17.727 4.361
225 HE22 GLN 28 2HE2 GLN 28 6.370 -16.656 5.703
226 H ALA 29 H ALA 29 3.686 -13.984 -0.776
227 HA ALA 29 HA ALA 29 2.748 -16.295 -2.169
228 HB1 ALA 29 3HB ALA 29 1.651 -14.734 -3.652
229 HB2 ALA 29 1HB ALA 29 2.611 -13.404 -3.002
230 HB3 ALA 29 2HB ALA 29 1.434 -14.224 -1.979
231 H HIS 30 H HIS 30 4.963 -13.641 -3.093
232 HA HIS 30 HA HIS 30 6.137 -15.493 -5.066
233 HB2 HIS 30 2HB HIS 30 5.434 -12.588 -5.366
234 HB3 HIS 30 1HB HIS 30 6.721 -13.299 -6.334
235 HD1 HIS 30 HD1 HIS 30 5.958 -15.359 -7.902
236 HD2 HIS 30 HD2 HIS 30 2.914 -13.002 -6.334
237 HE1 HIS 30 HE1 HIS 30 3.928 -15.866 -9.293
238 HE2 HIS 30 HE2 HIS 30 2.145 -14.314 -8.429
239 H GLY 31 H GLY 31 6.800 -12.499 -3.235
240 HA2 GLY 31 2HA GLY 31 8.718 -12.570 -1.696
241 HA3 GLY 31 1HA GLY 31 9.573 -13.475 -2.932
242 H LEU 32 H LEU 32 8.286 -11.582 -4.956
243 HA LEU 32 HA LEU 32 10.462 -9.713 -5.004
244 HB2 LEU 32 2HB LEU 32 9.392 -10.845 -7.009
245 HB3 LEU 32 1HB LEU 32 8.042 -9.750 -6.801
246 HG LEU 32 HG LEU 32 10.737 -8.525 -7.035
247 HD11 LEU 32 1HD1 LEU 32 10.829 -10.259 -8.745
248 HD12 LEU 32 2HD1 LEU 32 10.682 -8.661 -9.475
249 HD13 LEU 32 3HD1 LEU 32 9.276 -9.722 -9.385
250 HD21 LEU 32 3HD2 LEU 32 8.672 -7.196 -6.733
251 HD22 LEU 32 1HD2 LEU 32 8.068 -7.836 -8.263
252 HD23 LEU 32 2HD2 LEU 32 9.514 -6.824 -8.238
253 H THR 33 H THR 33 7.052 -9.619 -4.275
254 HA THR 33 HA THR 33 5.601 -7.964 -3.748
255 HB THR 33 HB THR 33 6.498 -8.551 -1.596
256 HG1 THR 33 HG1 THR 33 5.114 -6.541 -2.016
257 HG21 THR 33 3HG2 THR 33 8.878 -8.074 -1.965
258 HG22 THR 33 1HG2 THR 33 8.274 -7.298 -0.500
259 HG23 THR 33 2HG2 THR 33 8.525 -6.344 -1.963
260 HA PRO 34 HA PRO 34 7.307 -4.535 -6.245
261 HB2 PRO 34 2HB PRO 34 5.178 -4.308 -7.885
262 HB3 PRO 34 1HB PRO 34 6.447 -5.509 -8.151
263 HG2 PRO 34 2HG PRO 34 3.738 -5.850 -6.936
264 HG3 PRO 34 1HG PRO 34 4.606 -6.913 -8.057
265 HD2 PRO 34 2HD PRO 34 4.465 -7.340 -5.359
266 HD3 PRO 34 1HD PRO 34 5.799 -7.913 -6.378
267 H GLU 35 H GLU 35 4.916 -4.938 -3.986
268 HA GLU 35 HA GLU 35 3.321 -2.646 -4.224
269 HB2 GLU 35 2HB GLU 35 4.208 -4.221 -1.807
270 HB3 GLU 35 1HB GLU 35 3.068 -2.889 -1.705
271 HG2 GLU 35 2HG GLU 35 1.872 -4.959 -1.735
272 HG3 GLU 35 1HG GLU 35 1.570 -4.098 -3.243
273 H GLN 36 H GLN 36 6.513 -3.151 -2.881
274 HA GLN 36 HA GLN 36 6.769 -0.615 -1.633
275 HB2 GLN 36 2HB GLN 36 9.017 -1.196 -1.246
276 HB3 GLN 36 1HB GLN 36 8.149 -2.722 -1.202
277 HG2 GLN 36 2HG GLN 36 8.811 -2.974 -3.653
278 HG3 GLN 36 1HG GLN 36 9.939 -1.653 -3.354
279 HE21 GLN 36 1HE2 GLN 36 9.304 -4.984 -2.990
280 HE22 GLN 36 2HE2 GLN 36 10.771 -5.401 -2.170
281 H VAL 37 H VAL 37 6.475 -1.367 -4.822
282 HA VAL 37 HA VAL 37 8.107 0.926 -5.683
283 HB VAL 37 HB VAL 37 7.087 -1.301 -7.454
284 HG11 VAL 37 1HG1 VAL 37 9.150 0.852 -7.896
285 HG12 VAL 37 2HG1 VAL 37 7.549 0.766 -8.629
286 HG13 VAL 37 3HG1 VAL 37 8.769 -0.442 -9.032
287 HG21 VAL 37 3HG2 VAL 37 8.643 -2.238 -5.824
288 HG22 VAL 37 1HG2 VAL 37 9.828 -0.998 -6.227
289 HG23 VAL 37 2HG2 VAL 37 9.368 -2.201 -7.430
290 H VAL 38 H VAL 38 5.134 -0.830 -6.605
291 HA VAL 38 HA VAL 38 4.049 1.329 -8.057
292 HB VAL 38 HB VAL 38 3.325 -0.919 -8.527
293 HG11 VAL 38 1HG1 VAL 38 3.452 -1.899 -6.314
294 HG12 VAL 38 2HG1 VAL 38 1.858 -2.173 -7.018
295 HG13 VAL 38 3HG1 VAL 38 2.075 -0.930 -5.785
296 HG21 VAL 38 3HG2 VAL 38 0.894 -0.588 -8.593
297 HG22 VAL 38 1HG2 VAL 38 1.771 0.862 -9.078
298 HG23 VAL 38 2HG2 VAL 38 1.056 0.761 -7.470
299 H ALA 39 H ALA 39 3.422 0.259 -4.708
300 HA ALA 39 HA ALA 39 1.387 2.214 -4.280
301 HB1 ALA 39 3HB ALA 39 1.465 0.153 -2.972
302 HB2 ALA 39 1HB ALA 39 1.517 1.576 -1.931
303 HB3 ALA 39 2HB ALA 39 2.992 0.664 -2.253
304 H ILE 40 H ILE 40 4.842 2.054 -3.610
305 HA ILE 40 HA ILE 40 4.960 4.450 -2.108
306 HB ILE 40 HB ILE 40 7.117 2.977 -3.617
307 HG12 ILE 40 2HG1 ILE 40 6.197 1.710 -1.765
308 HG13 ILE 40 1HG1 ILE 40 7.805 2.279 -1.333
309 HG21 ILE 40 1HG2 ILE 40 7.776 5.301 -3.413
310 HG22 ILE 40 2HG2 ILE 40 8.724 4.310 -2.306
311 HG23 ILE 40 3HG2 ILE 40 7.389 5.283 -1.694
312 HD11 ILE 40 3HD1 ILE 40 5.162 3.349 -0.383
313 HD12 ILE 40 1HD1 ILE 40 6.704 4.158 -0.100
314 HD13 ILE 40 2HD1 ILE 40 6.416 2.551 0.565
315 H ALA 41 H ALA 41 5.531 3.740 -5.548
316 HA ALA 41 HA ALA 41 6.295 6.311 -6.345
317 HB1 ALA 41 3HB ALA 41 4.782 4.248 -7.948
318 HB2 ALA 41 1HB ALA 41 6.533 4.335 -7.768
319 HB3 ALA 41 2HB ALA 41 5.669 5.623 -8.601
320 H SER 42 H SER 42 3.090 4.833 -6.117
321 HA SER 42 HA SER 42 1.664 7.054 -7.142
322 HB2 SER 42 2HB SER 42 0.662 4.867 -5.302
323 HB3 SER 42 1HB SER 42 -0.325 5.910 -6.323
324 HG SER 42 HG SER 42 1.408 3.811 -7.067
325 H HIS 43 H HIS 43 3.054 6.387 -4.060
326 HA HIS 43 HA HIS 43 1.389 8.323 -2.678
327 HB2 HIS 43 2HB HIS 43 1.940 6.518 -1.286
328 HB3 HIS 43 1HB HIS 43 3.606 6.474 -1.840
329 HD1 HIS 43 HD1 HIS 43 1.366 8.781 0.219
330 HD2 HIS 43 HD2 HIS 43 5.349 7.633 -0.133
331 HE1 HIS 43 HE1 HIS 43 2.575 9.951 2.079
332 HE2 HIS 43 HE2 HIS 43 5.003 9.402 1.725
333 H ASP 44 H ASP 44 4.756 7.995 -3.736
334 HA ASP 44 HA ASP 44 5.509 10.569 -2.717
335 HB2 ASP 44 2HB ASP 44 7.132 8.737 -2.882
336 HB3 ASP 44 1HB ASP 44 6.950 8.728 -4.633
337 H GLY 45 H GLY 45 5.200 9.289 -6.054
338 HA2 GLY 45 2HA GLY 45 5.296 12.041 -7.038
339 HA3 GLY 45 1HA GLY 45 5.406 10.592 -8.019
340 H GLY 46 H GLY 46 2.910 9.740 -6.283
341 HA2 GLY 46 2HA GLY 46 1.040 10.807 -8.254
342 HA3 GLY 46 1HA GLY 46 0.744 9.453 -7.175
343 H LYS 47 H LYS 47 0.992 10.316 -4.725
344 HA LYS 47 HA LYS 47 -1.318 11.802 -4.265
345 HB2 LYS 47 2HB LYS 47 0.989 11.089 -2.480
346 HB3 LYS 47 1HB LYS 47 -0.398 11.994 -1.892
347 HG2 LYS 47 2HG LYS 47 -0.988 9.490 -3.345
348 HG3 LYS 47 1HG LYS 47 -0.215 9.324 -1.768
349 HD2 LYS 47 2HD LYS 47 -2.499 9.268 -1.277
350 HD3 LYS 47 1HD LYS 47 -2.038 10.934 -0.931
351 HE2 LYS 47 2HE LYS 47 -2.923 11.660 -3.059
352 HE3 LYS 47 1HE LYS 47 -3.284 9.994 -3.512
353 HZ1 LYS 47 3HZ LYS 47 -4.519 11.523 -1.281
354 HZ2 LYS 47 1HZ LYS 47 -4.837 9.898 -1.637
355 HZ3 LYS 47 2HZ LYS 47 -5.265 11.100 -2.745
356 H GLN 48 H GLN 48 2.017 12.916 -4.551
357 HA GLN 48 HA GLN 48 1.590 15.466 -3.402
358 HB2 GLN 48 2HB GLN 48 3.698 14.307 -5.180
359 HB3 GLN 48 1HB GLN 48 3.662 16.042 -4.901
360 HG2 GLN 48 2HG GLN 48 3.660 15.495 -2.422
361 HG3 GLN 48 1HG GLN 48 4.054 13.844 -2.901
362 HE21 GLN 48 1HE2 GLN 48 6.028 13.427 -3.917
363 HE22 GLN 48 2HE2 GLN 48 7.367 14.519 -3.774
364 H ALA 49 H ALA 49 0.433 14.190 -6.292
365 HA ALA 49 HA ALA 49 0.228 16.839 -7.547
366 HB1 ALA 49 3HB ALA 49 -0.411 15.649 -9.572
367 HB2 ALA 49 1HB ALA 49 -0.379 14.118 -8.695
368 HB3 ALA 49 2HB ALA 49 1.113 15.027 -8.938
369 H LEU 50 H LEU 50 -1.390 15.185 -5.346
370 HA LEU 50 HA LEU 50 -4.017 16.140 -6.277
371 HB2 LEU 50 2HB LEU 50 -3.232 13.459 -5.596
372 HB3 LEU 50 1HB LEU 50 -4.420 14.026 -4.441
373 HG LEU 50 HG LEU 50 -5.553 12.848 -6.190
374 HD11 LEU 50 1HD1 LEU 50 -7.142 14.470 -6.903
375 HD12 LEU 50 2HD1 LEU 50 -5.982 15.782 -6.705
376 HD13 LEU 50 3HD1 LEU 50 -6.597 14.927 -5.289
377 HD21 LEU 50 3HD2 LEU 50 -5.416 13.495 -8.528
378 HD22 LEU 50 1HD2 LEU 50 -3.826 13.045 -7.911
379 HD23 LEU 50 2HD2 LEU 50 -4.238 14.746 -8.128
380 H GLU 51 H GLU 51 -2.025 15.226 -3.502
381 HA GLU 51 HA GLU 51 -3.711 16.674 -1.652
382 HB2 GLU 51 2HB GLU 51 -0.990 15.484 -1.106
383 HB3 GLU 51 1HB GLU 51 -2.251 15.859 0.060
384 HG2 GLU 51 2HG GLU 51 -2.754 13.855 -2.091
385 HG3 GLU 51 1HG GLU 51 -1.831 13.409 -0.658
Start of MODEL 21
1 H1 GLU 1 1HT GLU 1 -15.022 -4.583 2.448
2 H2 GLU 1 2HT GLU 1 -13.959 -3.270 2.378
3 H3 GLU 1 3HT GLU 1 -15.489 -3.082 3.078
4 HA GLU 1 HA GLU 1 -13.811 -3.219 4.773
5 HB2 GLU 1 2HB GLU 1 -16.023 -4.120 5.274
6 HB3 GLU 1 1HB GLU 1 -15.573 -5.667 4.580
7 HG2 GLU 1 2HG GLU 1 -13.736 -5.708 6.374
8 HG3 GLU 1 1HG GLU 1 -14.666 -4.421 7.141
9 H GLN 2 H GLN 2 -11.750 -3.720 5.027
10 HA GLN 2 HA GLN 2 -10.768 -6.387 4.822
11 HB2 GLN 2 2HB GLN 2 -10.896 -5.599 2.387
12 HB3 GLN 2 1HB GLN 2 -9.618 -4.464 2.795
13 HG2 GLN 2 2HG GLN 2 -8.098 -6.226 3.286
14 HG3 GLN 2 1HG GLN 2 -9.375 -7.434 3.178
15 HE21 GLN 2 1HE2 GLN 2 -10.613 -6.394 0.839
16 HE22 GLN 2 2HE2 GLN 2 -9.553 -6.690 -0.489
17 H VAL 3 H VAL 3 -8.590 -6.551 5.604
18 HA VAL 3 HA VAL 3 -7.933 -4.788 7.648
19 HB VAL 3 HB VAL 3 -5.610 -5.845 7.525
20 HG11 VAL 3 1HG1 VAL 3 -7.420 -6.600 9.015
21 HG12 VAL 3 2HG1 VAL 3 -6.398 -7.928 8.469
22 HG13 VAL 3 3HG1 VAL 3 -7.988 -7.684 7.746
23 HG21 VAL 3 3HG2 VAL 3 -6.992 -7.456 5.380
24 HG22 VAL 3 1HG2 VAL 3 -5.485 -7.917 6.170
25 HG23 VAL 3 2HG2 VAL 3 -5.555 -6.450 5.196
26 H VAL 4 H VAL 4 -6.841 -4.801 4.291
27 HA VAL 4 HA VAL 4 -4.776 -2.888 4.612
28 HB VAL 4 HB VAL 4 -4.814 -2.624 2.191
29 HG11 VAL 4 1HG1 VAL 4 -3.709 -4.583 3.123
30 HG12 VAL 4 2HG1 VAL 4 -4.414 -4.945 1.548
31 HG13 VAL 4 3HG1 VAL 4 -5.214 -5.493 3.020
32 HG21 VAL 4 3HG2 VAL 4 -7.321 -4.305 2.237
33 HG22 VAL 4 1HG2 VAL 4 -6.458 -3.762 0.797
34 HG23 VAL 4 2HG2 VAL 4 -7.239 -2.585 1.855
35 H ALA 5 H ALA 5 -8.200 -2.627 4.432
36 HA ALA 5 HA ALA 5 -8.115 0.207 3.759
37 HB1 ALA 5 3HB ALA 5 -10.438 -1.649 4.241
38 HB2 ALA 5 1HB ALA 5 -9.838 -1.091 2.680
39 HB3 ALA 5 2HB ALA 5 -10.583 0.051 3.799
40 H ILE 6 H ILE 6 -9.111 -1.925 6.410
41 HA ILE 6 HA ILE 6 -10.011 0.031 8.192
42 HB ILE 6 HB ILE 6 -8.650 -2.588 8.858
43 HG12 ILE 6 2HG1 ILE 6 -11.605 -1.957 8.677
44 HG13 ILE 6 1HG1 ILE 6 -10.686 -2.737 7.395
45 HG21 ILE 6 1HG2 ILE 6 -8.700 -1.071 10.771
46 HG22 ILE 6 2HG2 ILE 6 -9.806 -2.421 11.008
47 HG23 ILE 6 3HG2 ILE 6 -10.434 -0.839 10.553
48 HD11 ILE 6 3HD1 ILE 6 -11.125 -3.819 10.167
49 HD12 ILE 6 1HD1 ILE 6 -10.184 -4.598 8.898
50 HD13 ILE 6 2HD1 ILE 6 -11.920 -4.364 8.689
51 H ALA 7 H ALA 7 -6.766 -1.397 7.825
52 HA ALA 7 HA ALA 7 -5.532 0.100 9.863
53 HB1 ALA 7 3HB ALA 7 -3.423 -0.554 8.825
54 HB2 ALA 7 1HB ALA 7 -4.291 -1.065 7.376
55 HB3 ALA 7 2HB ALA 7 -4.538 -1.919 8.900
56 H SER 8 H SER 8 -6.143 0.756 6.477
57 HA SER 8 HA SER 8 -4.524 3.084 6.298
58 HB2 SER 8 2HB SER 8 -6.768 1.988 4.608
59 HB3 SER 8 1HB SER 8 -5.938 3.495 4.220
60 HG SER 8 HG SER 8 -5.073 0.877 4.009
61 H ASN 9 H ASN 9 -7.960 2.520 6.936
62 HA ASN 9 HA ASN 9 -8.763 5.215 6.936
63 HB2 ASN 9 2HB ASN 9 -10.517 3.674 6.809
64 HB3 ASN 9 1HB ASN 9 -9.891 2.703 8.137
65 HD21 ASN 9 1HD2 ASN 9 -11.477 5.738 7.325
66 HD22 ASN 9 2HD2 ASN 9 -12.225 5.965 8.866
67 H ILE 10 H ILE 10 -7.533 3.116 9.490
68 HA ILE 10 HA ILE 10 -7.830 5.108 11.538
69 HB ILE 10 HB ILE 10 -6.194 2.564 11.568
70 HG12 ILE 10 2HG1 ILE 10 -8.556 2.092 11.210
71 HG13 ILE 10 1HG1 ILE 10 -8.098 1.635 12.847
72 HG21 ILE 10 1HG2 ILE 10 -7.085 4.355 13.826
73 HG22 ILE 10 2HG2 ILE 10 -5.430 4.135 13.255
74 HG23 ILE 10 3HG2 ILE 10 -6.287 2.794 14.016
75 HD11 ILE 10 3HD1 ILE 10 -10.224 2.682 12.953
76 HD12 ILE 10 1HD1 ILE 10 -9.670 4.049 11.983
77 HD13 ILE 10 2HD1 ILE 10 -9.050 3.820 13.619
78 H GLY 11 H GLY 11 -5.141 3.857 9.585
79 HA2 GLY 11 2HA GLY 11 -3.108 5.377 10.833
80 HA3 GLY 11 1HA GLY 11 -3.014 4.649 9.239
81 H GLY 12 H GLY 12 -4.940 5.969 7.839
82 HA2 GLY 12 2HA GLY 12 -5.703 8.240 7.400
83 HA3 GLY 12 1HA GLY 12 -4.198 8.814 8.104
84 H LYS 13 H LYS 13 -2.834 6.501 6.616
85 HA LYS 13 HA LYS 13 -2.752 7.863 4.002
86 HB2 LYS 13 2HB LYS 13 -0.502 6.478 5.476
87 HB3 LYS 13 1HB LYS 13 -0.385 7.181 3.868
88 HG2 LYS 13 2HG LYS 13 -0.166 9.262 4.652
89 HG3 LYS 13 1HG LYS 13 -1.382 9.022 5.910
90 HD2 LYS 13 2HD LYS 13 1.290 7.703 6.152
91 HD3 LYS 13 1HD LYS 13 1.118 9.411 6.557
92 HE2 LYS 13 2HE LYS 13 0.517 8.709 8.591
93 HE3 LYS 13 1HE LYS 13 -1.017 8.261 7.852
94 HZ1 LYS 13 3HZ LYS 13 1.296 6.413 7.991
95 HZ2 LYS 13 1HZ LYS 13 -0.313 6.032 7.619
96 HZ3 LYS 13 2HZ LYS 13 0.113 6.490 9.192
97 H GLN 14 H GLN 14 -4.205 6.539 2.985
98 HA GLN 14 HA GLN 14 -4.416 3.780 3.154
99 HB2 GLN 14 2HB GLN 14 -5.026 5.613 0.836
100 HB3 GLN 14 1HB GLN 14 -5.536 3.934 0.928
101 HG2 GLN 14 2HG GLN 14 -7.004 4.365 2.706
102 HG3 GLN 14 1HG GLN 14 -6.271 5.934 3.036
103 HE21 GLN 14 1HE2 GLN 14 -6.798 7.686 1.749
104 HE22 GLN 14 2HE2 GLN 14 -8.151 7.675 0.670
105 H ALA 15 H ALA 15 -2.516 5.693 0.854
106 HA ALA 15 HA ALA 15 -1.527 3.361 -0.490
107 HB1 ALA 15 3HB ALA 15 -0.743 6.256 -0.699
108 HB2 ALA 15 1HB ALA 15 -1.844 5.369 -1.751
109 HB3 ALA 15 2HB ALA 15 -0.128 4.971 -1.739
110 H LEU 16 H LEU 16 -0.846 4.271 2.495
111 HA LEU 16 HA LEU 16 1.981 3.482 2.259
112 HB2 LEU 16 2HB LEU 16 0.909 5.833 3.425
113 HB3 LEU 16 1HB LEU 16 1.516 4.834 4.728
114 HG LEU 16 HG LEU 16 3.046 5.994 2.409
115 HD11 LEU 16 1HD1 LEU 16 3.401 6.180 5.393
116 HD12 LEU 16 2HD1 LEU 16 2.707 7.423 4.355
117 HD13 LEU 16 3HD1 LEU 16 4.401 6.970 4.177
118 HD21 LEU 16 3HD2 LEU 16 5.023 4.797 3.481
119 HD22 LEU 16 1HD2 LEU 16 3.928 3.819 2.504
120 HD23 LEU 16 2HD2 LEU 16 3.827 3.764 4.263
121 H GLU 17 H GLU 17 -1.018 3.276 4.064
122 HA GLU 17 HA GLU 17 0.041 1.408 5.967
123 HB2 GLU 17 2HB GLU 17 -2.562 2.706 5.445
124 HB3 GLU 17 1HB GLU 17 -2.635 1.130 6.220
125 HG2 GLU 17 2HG GLU 17 -2.641 2.842 7.896
126 HG3 GLU 17 1HG GLU 17 -1.122 1.953 7.980
127 H THR 18 H THR 18 -1.593 1.242 2.884
128 HA THR 18 HA THR 18 -2.318 -1.498 3.087
129 HB THR 18 HB THR 18 -3.332 0.194 1.475
130 HG1 THR 18 HG1 THR 18 -2.488 -2.397 0.670
131 HG21 THR 18 3HG2 THR 18 -0.891 -0.525 -0.158
132 HG22 THR 18 1HG2 THR 18 -1.249 1.067 0.516
133 HG23 THR 18 2HG2 THR 18 -2.289 0.383 -0.733
134 H VAL 19 H VAL 19 0.609 0.154 2.089
135 HA VAL 19 HA VAL 19 1.748 -2.095 0.756
136 HB VAL 19 HB VAL 19 2.469 0.287 0.362
137 HG11 VAL 19 1HG1 VAL 19 4.157 1.251 1.826
138 HG12 VAL 19 2HG1 VAL 19 3.967 -0.100 2.945
139 HG13 VAL 19 3HG1 VAL 19 2.629 1.018 2.678
140 HG21 VAL 19 3HG2 VAL 19 3.788 -1.475 -0.546
141 HG22 VAL 19 1HG2 VAL 19 4.547 -1.791 1.014
142 HG23 VAL 19 2HG2 VAL 19 4.889 -0.291 0.152
143 H GLN 20 H GLN 20 1.583 -1.027 4.051
144 HA GLN 20 HA GLN 20 3.707 -2.666 5.031
145 HB2 GLN 20 2HB GLN 20 1.364 -1.437 6.497
146 HB3 GLN 20 1HB GLN 20 2.776 -2.155 7.260
147 HG2 GLN 20 2HG GLN 20 2.757 0.284 5.495
148 HG3 GLN 20 1HG GLN 20 2.906 0.271 7.250
149 HE21 GLN 20 1HE2 GLN 20 4.803 -0.648 8.173
150 HE22 GLN 20 2HE2 GLN 20 6.279 -0.698 7.276
151 H ARG 21 H ARG 21 0.440 -3.213 4.166
152 HA ARG 21 HA ARG 21 0.304 -5.691 5.710
153 HB2 ARG 21 2HB ARG 21 -1.602 -4.051 5.696
154 HB3 ARG 21 1HB ARG 21 -1.843 -4.440 4.001
155 HG2 ARG 21 2HG ARG 21 -3.409 -5.700 5.263
156 HG3 ARG 21 1HG ARG 21 -2.178 -6.822 4.675
157 HD2 ARG 21 2HD ARG 21 -2.793 -7.245 7.019
158 HD3 ARG 21 1HD ARG 21 -1.095 -6.812 6.845
159 HE ARG 21 HE ARG 21 -1.790 -4.522 7.557
160 HH11 ARG 21 1HH1 ARG 21 -3.686 -7.323 8.504
161 HH12 ARG 21 2HH1 ARG 21 -4.356 -6.542 9.902
162 HH21 ARG 21 1HH2 ARG 21 -2.658 -3.522 9.405
163 HH22 ARG 21 2HH2 ARG 21 -3.767 -4.393 10.418
164 H LEU 22 H LEU 22 0.285 -4.519 2.382
165 HA LEU 22 HA LEU 22 -0.161 -7.137 1.291
166 HB2 LEU 22 2HB LEU 22 0.598 -4.518 0.024
167 HB3 LEU 22 1HB LEU 22 0.349 -5.994 -0.887
168 HG LEU 22 HG LEU 22 -1.755 -4.658 0.820
169 HD11 LEU 22 1HD1 LEU 22 -1.261 -4.599 -2.149
170 HD12 LEU 22 2HD1 LEU 22 -1.295 -3.232 -1.035
171 HD13 LEU 22 3HD1 LEU 22 -2.778 -4.116 -1.395
172 HD21 LEU 22 3HD2 LEU 22 -3.276 -6.190 -0.431
173 HD22 LEU 22 1HD2 LEU 22 -2.161 -7.016 0.659
174 HD23 LEU 22 2HD2 LEU 22 -1.848 -6.998 -1.076
175 H LEU 23 H LEU 23 2.648 -5.183 2.030
176 HA LEU 23 HA LEU 23 4.544 -6.345 0.391
177 HB2 LEU 23 2HB LEU 23 4.855 -4.384 1.956
178 HB3 LEU 23 1HB LEU 23 5.094 -5.548 3.240
179 HG LEU 23 HG LEU 23 6.894 -6.433 1.396
180 HD11 LEU 23 1HD1 LEU 23 8.102 -4.496 0.553
181 HD12 LEU 23 2HD1 LEU 23 6.876 -3.421 1.225
182 HD13 LEU 23 3HD1 LEU 23 6.456 -4.531 -0.082
183 HD21 LEU 23 3HD2 LEU 23 7.300 -4.388 3.573
184 HD22 LEU 23 1HD2 LEU 23 8.580 -5.335 2.817
185 HD23 LEU 23 2HD2 LEU 23 7.323 -6.141 3.754
186 HA PRO 24 HA PRO 24 5.524 -9.733 3.729
187 HB2 PRO 24 2HB PRO 24 3.456 -10.319 5.439
188 HB3 PRO 24 1HB PRO 24 4.820 -9.273 5.846
189 HG2 PRO 24 2HG PRO 24 2.068 -8.531 4.934
190 HG3 PRO 24 1HG PRO 24 3.064 -7.794 6.204
191 HD2 PRO 24 2HD PRO 24 2.832 -6.664 3.788
192 HD3 PRO 24 1HD PRO 24 4.367 -6.629 4.681
193 H VAL 25 H VAL 25 2.178 -9.303 2.656
194 HA VAL 25 HA VAL 25 1.566 -12.052 2.360
195 HB VAL 25 HB VAL 25 0.356 -9.661 0.948
196 HG11 VAL 25 1HG1 VAL 25 -1.574 -11.135 0.529
197 HG12 VAL 25 2HG1 VAL 25 -0.660 -12.495 1.179
198 HG13 VAL 25 3HG1 VAL 25 -0.114 -11.691 -0.290
199 HG21 VAL 25 3HG2 VAL 25 0.119 -9.537 3.362
200 HG22 VAL 25 1HG2 VAL 25 -0.540 -11.174 3.400
201 HG23 VAL 25 2HG2 VAL 25 -1.437 -9.877 2.608
202 H LEU 26 H LEU 26 2.449 -9.584 -0.066
203 HA LEU 26 HA LEU 26 2.635 -11.452 -2.191
204 HB2 LEU 26 2HB LEU 26 3.385 -8.603 -1.794
205 HB3 LEU 26 1HB LEU 26 4.133 -9.458 -3.128
206 HG LEU 26 HG LEU 26 2.187 -8.254 -3.910
207 HD11 LEU 26 1HD1 LEU 26 1.089 -9.987 -5.084
208 HD12 LEU 26 2HD1 LEU 26 1.456 -11.168 -3.828
209 HD13 LEU 26 3HD1 LEU 26 2.750 -10.523 -4.836
210 HD21 LEU 26 3HD2 LEU 26 0.926 -8.117 -1.843
211 HD22 LEU 26 1HD2 LEU 26 0.632 -9.855 -1.883
212 HD23 LEU 26 2HD2 LEU 26 -0.070 -8.814 -3.122
213 H CYS 27 H CYS 27 4.887 -10.338 0.222
214 HA CYS 27 HA CYS 27 7.247 -11.294 -1.048
215 HB2 CYS 27 2HB CYS 27 6.797 -9.690 1.093
216 HB3 CYS 27 1HB CYS 27 7.197 -11.197 1.910
217 HG CYS 27 HG CYS 27 9.709 -11.453 0.797
218 H GLN 28 H GLN 28 4.790 -12.753 0.950
219 HA GLN 28 HA GLN 28 6.358 -15.145 1.411
220 HB2 GLN 28 2HB GLN 28 4.675 -14.175 3.055
221 HB3 GLN 28 1HB GLN 28 3.419 -14.764 1.976
222 HG2 GLN 28 2HG GLN 28 3.877 -16.275 3.867
223 HG3 GLN 28 1HG GLN 28 4.126 -17.032 2.294
224 HE21 GLN 28 1HE2 GLN 28 5.529 -18.572 2.994
225 HE22 GLN 28 2HE2 GLN 28 7.127 -18.223 3.554
226 H ALA 29 H ALA 29 3.778 -14.040 -0.669
227 HA ALA 29 HA ALA 29 3.175 -16.608 -1.757
228 HB1 ALA 29 3HB ALA 29 1.796 -15.413 -3.345
229 HB2 ALA 29 1HB ALA 29 2.545 -13.886 -2.886
230 HB3 ALA 29 2HB ALA 29 1.548 -14.763 -1.727
231 H HIS 30 H HIS 30 4.986 -13.796 -2.987
232 HA HIS 30 HA HIS 30 6.234 -15.610 -4.951
233 HB2 HIS 30 2HB HIS 30 5.288 -12.780 -5.220
234 HB3 HIS 30 1HB HIS 30 6.601 -13.363 -6.236
235 HD1 HIS 30 HD1 HIS 30 5.927 -14.528 -8.327
236 HD2 HIS 30 HD2 HIS 30 2.843 -14.389 -5.545
237 HE1 HIS 30 HE1 HIS 30 3.907 -15.452 -9.504
238 HE2 HIS 30 HE2 HIS 30 2.038 -15.286 -7.830
239 H GLY 31 H GLY 31 6.762 -12.536 -3.202
240 HA2 GLY 31 2HA GLY 31 8.726 -12.435 -1.731
241 HA3 GLY 31 1HA GLY 31 9.593 -13.351 -2.953
242 H LEU 32 H LEU 32 7.901 -11.442 -4.837
243 HA LEU 32 HA LEU 32 10.081 -9.557 -5.125
244 HB2 LEU 32 2HB LEU 32 9.195 -10.611 -7.123
245 HB3 LEU 32 1HB LEU 32 7.589 -10.010 -6.768
246 HG LEU 32 HG LEU 32 8.437 -7.687 -7.070
247 HD11 LEU 32 1HD1 LEU 32 10.595 -7.395 -8.224
248 HD12 LEU 32 2HD1 LEU 32 10.935 -9.108 -7.980
249 HD13 LEU 32 3HD1 LEU 32 10.779 -8.033 -6.592
250 HD21 LEU 32 3HD2 LEU 32 7.295 -8.855 -8.880
251 HD22 LEU 32 1HD2 LEU 32 8.827 -9.542 -9.417
252 HD23 LEU 32 2HD2 LEU 32 8.562 -7.800 -9.507
253 H THR 33 H THR 33 6.648 -9.518 -4.412
254 HA THR 33 HA THR 33 5.186 -7.871 -3.911
255 HB THR 33 HB THR 33 5.913 -8.427 -1.722
256 HG1 THR 33 HG1 THR 33 4.706 -6.335 -2.183
257 HG21 THR 33 3HG2 THR 33 8.350 -8.142 -2.030
258 HG22 THR 33 1HG2 THR 33 7.753 -7.384 -0.554
259 HG23 THR 33 2HG2 THR 33 8.127 -6.392 -1.963
260 HA PRO 34 HA PRO 34 6.987 -4.500 -6.433
261 HB2 PRO 34 2HB PRO 34 4.803 -4.185 -7.994
262 HB3 PRO 34 1HB PRO 34 6.031 -5.419 -8.309
263 HG2 PRO 34 2HG PRO 34 3.371 -5.691 -6.960
264 HG3 PRO 34 1HG PRO 34 4.129 -6.751 -8.163
265 HD2 PRO 34 2HD PRO 34 4.142 -7.297 -5.506
266 HD3 PRO 34 1HD PRO 34 5.458 -7.786 -6.591
267 H GLU 35 H GLU 35 4.560 -4.793 -4.162
268 HA GLU 35 HA GLU 35 3.138 -2.394 -4.356
269 HB2 GLU 35 2HB GLU 35 3.906 -4.060 -1.957
270 HB3 GLU 35 1HB GLU 35 2.861 -2.653 -1.844
271 HG2 GLU 35 2HG GLU 35 1.480 -4.572 -1.908
272 HG3 GLU 35 1HG GLU 35 1.321 -3.754 -3.459
273 H GLN 36 H GLN 36 6.304 -3.123 -3.092
274 HA GLN 36 HA GLN 36 6.731 -0.653 -1.757
275 HB2 GLN 36 2HB GLN 36 8.987 -1.357 -1.514
276 HB3 GLN 36 1HB GLN 36 7.997 -2.802 -1.379
277 HG2 GLN 36 2HG GLN 36 8.485 -3.239 -3.803
278 HG3 GLN 36 1HG GLN 36 9.660 -1.925 -3.724
279 HE21 GLN 36 1HE2 GLN 36 8.953 -5.182 -2.907
280 HE22 GLN 36 2HE2 GLN 36 10.497 -5.581 -2.233
281 H VAL 37 H VAL 37 6.395 -1.343 -4.975
282 HA VAL 37 HA VAL 37 8.093 0.914 -5.804
283 HB VAL 37 HB VAL 37 7.026 -1.293 -7.572
284 HG11 VAL 37 1HG1 VAL 37 9.108 0.829 -8.066
285 HG12 VAL 37 2HG1 VAL 37 7.480 0.789 -8.746
286 HG13 VAL 37 3HG1 VAL 37 8.653 -0.450 -9.192
287 HG21 VAL 37 3HG2 VAL 37 8.606 -2.215 -5.961
288 HG22 VAL 37 1HG2 VAL 37 9.788 -0.983 -6.399
289 HG23 VAL 37 2HG2 VAL 37 9.298 -2.195 -7.582
290 H VAL 38 H VAL 38 5.144 -0.731 -6.994
291 HA VAL 38 HA VAL 38 4.169 1.551 -8.313
292 HB VAL 38 HB VAL 38 3.444 -0.625 -9.014
293 HG11 VAL 38 1HG1 VAL 38 3.453 -1.777 -6.865
294 HG12 VAL 38 2HG1 VAL 38 1.930 -2.017 -7.714
295 HG13 VAL 38 3HG1 VAL 38 2.017 -0.881 -6.373
296 HG21 VAL 38 3HG2 VAL 38 1.019 -0.268 -9.164
297 HG22 VAL 38 1HG2 VAL 38 1.935 1.201 -9.496
298 HG23 VAL 38 2HG2 VAL 38 1.140 0.990 -7.936
299 H ALA 39 H ALA 39 3.148 0.168 -5.173
300 HA ALA 39 HA ALA 39 1.185 2.159 -4.705
301 HB1 ALA 39 3HB ALA 39 1.117 -0.014 -3.582
302 HB2 ALA 39 1HB ALA 39 1.122 1.314 -2.418
303 HB3 ALA 39 2HB ALA 39 2.599 0.393 -2.709
304 H ILE 40 H ILE 40 4.570 1.826 -3.769
305 HA ILE 40 HA ILE 40 4.637 4.080 -2.076
306 HB ILE 40 HB ILE 40 6.842 2.630 -3.536
307 HG12 ILE 40 2HG1 ILE 40 5.753 1.331 -1.791
308 HG13 ILE 40 1HG1 ILE 40 7.368 1.788 -1.264
309 HG21 ILE 40 1HG2 ILE 40 7.535 4.941 -3.177
310 HG22 ILE 40 2HG2 ILE 40 8.438 3.841 -2.137
311 HG23 ILE 40 3HG2 ILE 40 7.123 4.807 -1.467
312 HD11 ILE 40 3HD1 ILE 40 4.752 2.985 -0.390
313 HD12 ILE 40 1HD1 ILE 40 6.329 3.652 0.028
314 HD13 ILE 40 2HD1 ILE 40 5.882 2.038 0.578
315 H ALA 41 H ALA 41 5.531 3.670 -5.504
316 HA ALA 41 HA ALA 41 6.400 6.298 -5.939
317 HB1 ALA 41 3HB ALA 41 5.103 4.425 -7.914
318 HB2 ALA 41 1HB ALA 41 6.820 4.479 -7.515
319 HB3 ALA 41 2HB ALA 41 6.057 5.855 -8.311
320 H SER 42 H SER 42 3.183 4.845 -6.310
321 HA SER 42 HA SER 42 1.939 7.206 -7.254
322 HB2 SER 42 2HB SER 42 0.608 4.880 -5.862
323 HB3 SER 42 1HB SER 42 -0.141 6.029 -6.969
324 HG SER 42 HG SER 42 1.653 3.930 -7.513
325 H HIS 43 H HIS 43 2.799 6.117 -4.086
326 HA HIS 43 HA HIS 43 0.956 7.925 -2.764
327 HB2 HIS 43 2HB HIS 43 1.208 6.492 -1.058
328 HB3 HIS 43 1HB HIS 43 2.379 5.585 -1.998
329 HD1 HIS 43 HD1 HIS 43 2.199 8.339 0.600
330 HD2 HIS 43 HD2 HIS 43 4.972 5.744 -1.093
331 HE1 HIS 43 HE1 HIS 43 4.273 8.562 1.995
332 HE2 HIS 43 HE2 HIS 43 5.993 7.142 0.824
333 H ASP 44 H ASP 44 4.293 7.834 -3.742
334 HA ASP 44 HA ASP 44 4.913 10.218 -2.189
335 HB2 ASP 44 2HB ASP 44 6.441 8.092 -2.687
336 HB3 ASP 44 1HB ASP 44 6.883 9.050 -4.095
337 H GLY 45 H GLY 45 6.008 9.493 -5.471
338 HA2 GLY 45 2HA GLY 45 5.776 12.244 -6.226
339 HA3 GLY 45 1HA GLY 45 6.270 10.918 -7.261
340 H GLY 46 H GLY 46 3.619 9.577 -6.383
341 HA2 GLY 46 2HA GLY 46 2.109 10.719 -8.595
342 HA3 GLY 46 1HA GLY 46 1.768 9.208 -7.770
343 H LYS 47 H LYS 47 2.109 11.020 -5.199
344 HA LYS 47 HA LYS 47 -0.719 11.810 -5.215
345 HB2 LYS 47 2HB LYS 47 0.271 10.110 -3.520
346 HB3 LYS 47 1HB LYS 47 0.953 11.527 -2.736
347 HG2 LYS 47 2HG LYS 47 -1.102 10.933 -1.648
348 HG3 LYS 47 1HG LYS 47 -1.327 12.455 -2.508
349 HD2 LYS 47 2HD LYS 47 -2.615 11.450 -4.186
350 HD3 LYS 47 1HD LYS 47 -2.063 9.830 -3.763
351 HE2 LYS 47 2HE LYS 47 -4.314 10.070 -2.999
352 HE3 LYS 47 1HE LYS 47 -3.255 10.062 -1.592
353 HZ1 LYS 47 3HZ LYS 47 -5.078 11.780 -1.630
354 HZ2 LYS 47 1HZ LYS 47 -4.203 12.577 -2.836
355 HZ3 LYS 47 2HZ LYS 47 -3.521 12.363 -1.299
356 H GLN 48 H GLN 48 2.286 13.150 -5.524
357 HA GLN 48 HA GLN 48 2.291 15.385 -3.872
358 HB2 GLN 48 2HB GLN 48 3.370 15.077 -6.675
359 HB3 GLN 48 1HB GLN 48 3.720 16.447 -5.630
360 HG2 GLN 48 2HG GLN 48 4.664 14.835 -3.975
361 HG3 GLN 48 1HG GLN 48 4.475 13.574 -5.191
362 HE21 GLN 48 1HE2 GLN 48 6.327 16.253 -4.128
363 HE22 GLN 48 2HE2 GLN 48 7.565 16.162 -5.333
364 H ALA 49 H ALA 49 0.920 15.077 -7.144
365 HA ALA 49 HA ALA 49 -0.205 17.749 -6.955
366 HB1 ALA 49 3HB ALA 49 -0.946 17.382 -9.251
367 HB2 ALA 49 1HB ALA 49 -0.399 15.710 -9.167
368 HB3 ALA 49 2HB ALA 49 0.770 17.025 -9.071
369 H LEU 50 H LEU 50 -1.097 15.152 -5.442
370 HA LEU 50 HA LEU 50 -3.970 15.582 -5.922
371 HB2 LEU 50 2HB LEU 50 -2.471 13.002 -5.605
372 HB3 LEU 50 1HB LEU 50 -4.146 13.106 -5.107
373 HG LEU 50 HG LEU 50 -4.303 12.226 -7.242
374 HD11 LEU 50 1HD1 LEU 50 -5.322 13.876 -8.627
375 HD12 LEU 50 2HD1 LEU 50 -4.443 15.174 -7.824
376 HD13 LEU 50 3HD1 LEU 50 -5.685 14.280 -6.948
377 HD21 LEU 50 3HD2 LEU 50 -3.004 13.023 -9.178
378 HD22 LEU 50 1HD2 LEU 50 -1.977 12.410 -7.883
379 HD23 LEU 50 2HD2 LEU 50 -2.152 14.148 -8.120
380 H GLU 51 H GLU 51 -2.195 16.831 -4.023
381 HA GLU 51 HA GLU 51 -3.432 15.898 -1.525
382 HB2 GLU 51 2HB GLU 51 -0.586 16.647 -2.069
383 HB3 GLU 51 1HB GLU 51 -1.270 16.957 -0.478
384 HG2 GLU 51 2HG GLU 51 -1.146 14.282 -1.848
385 HG3 GLU 51 1HG GLU 51 -0.080 14.831 -0.556
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